4-benzylidene-2-methyl-4H-oxazol-5-one

HCID 94946

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Basic information

CAS: 881-90-3
Standard SMILES: CC1=NC(=Cc2ccccc2)C(=O)O1
InChIKey: BWQBTJRPSDVWIR-UHFFFAOYSA-N
Molecular formula: C11H9NO2
Average molar mass: 187.19 g/mol
Monoisotopic mass: 187.06332853

Names & identifiers

Preferred name: 4-benzylidene-2-methyl-4H-oxazol-5-one
IUPAC: 4-benzylidene-2-methyl-1,3-oxazol-5-one
English name: 2-methyl-4-(phenylmethylene)oxazol-5(4H)-one
Molecular formula: C11H9NO2
Molecular weight: 187.19

Names & synonyms

4-benzylidene-2-methyl-4H-oxazol-5-oneMaybridge1_0064552-Methyl-4-(phenylmethylene)-5(4H)-Oxazolone(4E)-2-methyl-4-(phenylmethylidene)-4,5-dihydro-1,3-oxazol-5-oneSCHEMBL8958545BWQBTJRPSDVWIR-UHFFFAOYSA-NDTXSID3012595062-methyl-4-benzylidene-5-oxazolone4-benzylidene-2-methyloxazol-5-one4-benzylidene-2-methyl-oxazol-5-oneAKOS0160381512-methyl-4-benzylidene-1,3-oxazolin-5-one

Show more names

4-Benzylidene-2-methyloxazol-5(4H)-one2-Methyl-4-benzylidene-2-oxazoline-5-one2-Methyl-4-benzylidene-(4,5-2H)-5-oxazolone2-methyl-4-(phenylmethylene)oxazol-5(4H)-one5(4H)-Oxazolone, 2-Methyl-4-(phenylMethylene)-

NS000422394-benzylidene-2-methyl-1,3-oxazol-5(4h)-one

Database identifiers

CAS: 881-90-3
PubChem CID: 94946
DTXSID: DTXSID301259506

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 298

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338