Basic information
- CAS
32551-40-9- Standard SMILES
Cc1nonc1NC(=O)OCc1ccccc1- InChIKey
BUCFPEPEOMXHDD-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- Benzyl 4-methyl-1,2,5-oxadiazol-3-ylcarbamate
- IUPAC
- benzyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate
- English name
- Carbamic acid, (4-methyl-1,2,5-oxadiazol-3-yl)-, phenylmethyl ester (9CI)
- Molecular formula
- C11H11N3O3
- Molecular weight
- 233.22
Names & synonyms
32551-40-9Benzyl 4-methyl-1,2,5-oxadiazol-3-ylcarbamate1FZ3PET3HYUNII-1FZ3PET3HYNSC 234491NSC-234491DTXSID601862583-FURAZANCARBAMIC ACID, 4-METHYL-, BENZYL ESTERCARBAMIC ACID, (METHYLFURAZANYL)-, PHENYLMETHYL ESTERCarbamic acid, (4-methyl-1,2,5-oxadiazol-3-yl)-, phenylmethyl esterRefChem:118849DTXCID70108749
Show more names
Carbamic acid, (4-methyl-1,2,5-oxadiazol-3-yl)-, phenylmethyl ester (9CI)
NSC234491benzyl (4-methyl-1,2,5-oxadiazol-3-yl)carbamatebenzyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamateSTK241124AKOS005421731SR-01000423830SR-01000423830-1
Database identifiers
- CAS
32551-40-9- PubChem CID
- 314764
- DTXSID
DTXSID60186258- UNII
- 1FZ3PET3HY
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 11.22 · 11.22±0.70(Predicted)
- FDA UNII
- 1 FZ3PET3HY · 1FZ3PET3HY
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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