2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5
Basic information
- CAS
879-60-7- Standard SMILES
Cn1nc(-c2ccccc2)oc1=O- InChIKey
JBDTUVFVJKCGHG-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5
- IUPAC
- 3-methyl-5-phenyl-1,3,4-oxadiazol-2-one
Names & synonyms
879-60-72-Phenyl-4-methyl-oxadiazol-1,3,4-one-5DTXSID40335101RefChem:265275DTXCID502861903-Methyl-5-phenyl-1,3,4-oxadiazol-2(3H)-one3-methyl-5-phenyl-1,3,4-oxadiazol-2-oneSCHEMBL14007387JBDTUVFVJKCGHG-UHFFFAOYSA-N3-methyl-5-phenyl-3H-[1,3,4]oxadiazol-2-one1,3,4 Oxadiazol-2(3H)-one, 3-methyl-5-phenyl3-Methyl-5-phenyl-1,3,4-oxadiazol-2(3H)-one #
Database identifiers
- CAS
879-60-7- PubChem CID
- 522887
- DTXSID
DTXSID40335101- Nikkaji
- J2.973.029F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
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Compound notes
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