Molecular formula
C5H6N2O2

SMILES
C/C=C/C1=NNC(=O)O1

Fragrance
Nutty	50.55%
Green	36.06%
Roasted	33.49%
Burnt	31.7%
Spicy	30.24%
Fruity	29.31%
Caramellic	29.27%
Pungent	25.86%
Musty	23.63%
Vegetable	22.88%

 

Flavor
Nutty	34.18%
Bitter	33.58%
Bread crust	21.05%
Roasted peanuts	20.66%
Furfural	20.49%
Cocoa	20.19%
Hazelnut	20.17%
Taco	19.78%
Cardboard	19.65%
Matches	19.56%

 

Odor impact est.
Medium

XLogP3-AA
0.6

pKa est.
8.7 (weak base)

Molecular weight
126.11 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
333°C

Flash point

• 144.06 ˚C est.

• 1,3,4-OXADIAZOLINE,2-ONE,5-(1-PROPENYL (TRANS))
• 1,3,4-oxadiazol-2(3H)-one, 5-[(1E)-1-propenyl]-
• 5-[(1E)-prop-1-en-1-yl]-1,3,4-oxadiazol-2(3H)-one
• InChI=1/C5H6N2O2/c1-2-3-4-6-7-5(8)9-4/h2-3H,1H3,(H,7,8)/b3-2

1,3,4-Oxadiazoline,2-one,5-(1-propenyl (trans)) may be used as a synthetic intermediate in the pharmaceutical industry, supporting the construction of heterocyclic scaffolds for active pharmaceutical ingredients. It is also commonly evaluated as an intermediate in agrochemical synthesis. As a versatile heterocyclic building block, it can serve in the preparation of specialty polymers, coatings, and adhesives where the oxadiazolone ring contributes functional properties. The compound may likewise function as a precursor in the development of electronic/photonic materials or dyes and in research contexts for ligand design and catalysis. Overall, it acts as a flexible starting material for further chemical elaboration across multiple sectors, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	19.51
methanol	27.93
isopropanol	15.25
water	0.78
ethyl acetate	11.87
n-propanol	13.61
acetone	31.06
n-butanol	14.19
acetonitrile	7.99
DMF	260.75
toluene	1.24
isobutanol	11.34
1,4-dioxane	21.51
methyl acetate	17.79
THF	60.79
2-butanone	19.64
n-pentanol	13.24
sec-butanol	13.51
n-hexane	0.28
ethylene glycol	19.51
NMP	197.88
cyclohexane	0.14
DMSO	321.0
n-butyl acetate	11.73
n-octanol	8.6
chloroform	4.21
n-propyl acetate	9.53
acetic acid	30.75
dichloromethane	7.36
cyclohexanone	27.04
propylene glycol	24.01
isopropyl acetate	8.83
DMAc	179.44
2-ethoxyethanol	34.93
isopentanol	15.26
n-heptane	0.35
ethyl formate	13.23
1,2-dichloroethane	8.13
n-hexanol	11.61
2-methoxyethanol	66.9
isobutyl acetate	6.86
tetrachloromethane	0.65
n-pentyl acetate	9.93
transcutol	54.59
n-heptanol	7.85
ethylbenzene	2.08
MIBK	12.76
2-propoxyethanol	37.85
tert-butanol	23.04
MTBE	10.04
2-butoxyethanol	22.88
propionic acid	21.6
o-xylene	2.73
formic acid	21.8
diethyl ether	4.85
m-xylene	2.34
p-xylene	3.01
chlorobenzene	3.9
dimethyl carbonate	17.95
n-octane	0.23
formamide	32.72
cyclopentanone	49.91
2-pentanone	16.52
anisole	11.12
cyclopentyl methyl ether	13.88
gamma-butyrolactone	66.08
1-methoxy-2-propanol	55.1
pyridine	14.35
3-pentanone	10.58
furfural	60.62
n-dodecane	0.41
diethylene glycol	40.71
diisopropyl ether	2.06
tert-amyl alcohol	20.63
acetylacetone	25.69
n-hexadecane	0.46
acetophenone	15.88
methyl propionate	19.45
isopentyl acetate	12.71
trichloroethylene	14.77
n-nonanol	8.29
cyclohexanol	10.01
benzyl alcohol	14.28
2-ethylhexanol	7.81
isooctanol	7.08
dipropyl ether	5.08
1,2-dichlorobenzene	6.33
ethyl lactate	16.61
propylene carbonate	31.22
n-methylformamide	55.75
2-pentanol	9.44
n-pentane	0.19
1-propoxy-2-propanol	25.46
1-methoxy-2-propyl acetate	20.36
2-(2-methoxypropoxy) propanol	32.44
mesitylene	2.04
ε-caprolactone	30.01
p-cymene	3.34
epichlorohydrin	52.41
1,1,1-trichloroethane	4.21
2-aminoethanol	24.38
morpholine-4-carbaldehyde	101.79
sulfolane	145.25
2,2,4-trimethylpentane	0.45
2-methyltetrahydrofuran	23.82
n-hexyl acetate	14.8
isooctane	0.31
2-(2-butoxyethoxy)ethanol	35.65
sec-butyl acetate	7.01
tert-butyl acetate	12.71
decalin	0.51
glycerin	40.76
diglyme	47.06
acrylic acid	27.45
isopropyl myristate	7.6
n-butyric acid	20.26
acetyl acetate	8.54
di(2-ethylhexyl) phthalate	13.7
ethyl propionate	10.68
nitromethane	57.4
1,2-diethoxyethane	12.31
benzonitrile	11.8
trioctyl phosphate	9.88
1-bromopropane	3.14
gamma-valerolactone	73.56
n-decanol	6.87
triethyl phosphate	9.7
4-methyl-2-pentanol	7.53
propionitrile	8.08
vinylene carbonate	26.66
1,1,2-trichlorotrifluoroethane	46.84
DMS	19.41
cumene	2.71
2-octanol	5.95
2-hexanone	12.06
octyl acetate	10.46
limonene	4.2
1,2-dimethoxyethane	47.49
ethyl orthosilicate	8.16
tributyl phosphate	10.53
diacetone alcohol	30.27
N,N-dimethylaniline	12.66
acrylonitrile	16.4
aniline	6.97
1,3-propanediol	28.07
bromobenzene	2.91
dibromomethane	3.74
1,1,2,2-tetrachloroethane	13.61
2-methyl-cyclohexyl acetate	11.97
tetrabutyl urea	16.83
diisobutyl methanol	5.18
2-phenylethanol	13.41
styrene	2.05
dioctyl adipate	13.07
dimethyl sulfate	60.11
ethyl butyrate	9.41
methyl lactate	30.53
butyl lactate	15.53
diethyl carbonate	8.86
propanediol butyl ether	27.69
triethyl orthoformate	9.23
p-tert-butyltoluene	3.23
methyl 4-tert-butylbenzoate	23.01
morpholine	32.9
tert-butylamine	8.27
n-dodecanol	5.47
dimethoxymethane	55.06
ethylene carbonate	18.48
cyrene	41.06
2-ethoxyethyl acetate	16.09
2-ethylhexyl acetate	9.71
1,2,4-trichlorobenzene	10.27
4-methylpyridine	16.35
dibutyl ether	5.33
2,6-dimethyl-4-heptanol	5.18
DEF	35.36
dimethyl isosorbide	44.22
tetrachloroethylene	6.37
eugenol	26.7
triacetin	20.16
span 80	25.9
1,4-butanediol	15.09
1,1-dichloroethane	4.76
2-methyl-1-pentanol	14.49
methyl formate	38.57
2-methyl-1-butanol	13.74
n-decane	0.48
butyronitrile	9.11
3,7-dimethyl-1-octanol	9.14
1-chlorooctane	2.67
1-chlorotetradecane	1.69
n-nonane	0.38
undecane	0.44
tert-butylcyclohexane	0.59
cyclooctane	0.1
cyclopentanol	16.99
tetrahydropyran	10.03
tert-amyl methyl ether	10.65
2,5,8-trioxanonane	42.16
1-hexene	1.57
2-isopropoxyethanol	23.05
2,2,2-trifluoroethanol	14.58
methyl butyrate	15.57

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