AC1Ntnke
Basic information
- CAS
57427-91-5- Standard SMILES
C/C(=C1\N=C(c2ccccc2)OC1=O)c1ccccc1- InChIKey
TYPJAOYNIKQSCQ-NTCAYCPXSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- AC1Ntnke
- IUPAC
- (4E)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one
Names & synonyms
AC1NTNKE57427-91-5DTXSID10419563RefChem:314146DTXCID803704102-Phenyl-4-(1-phenylethylidene)oxazol-5(4H)-one68099-99-0SCHEMBL7581232CHEMBL1988434NSC351965NSC-351965(4E)-2-Phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
57427-91-5- PubChem CID
- 5384656
- DTXSID
DTXSID10419563- ChEMBL
CHEMBL1988434- Nikkaji
- J3.138.727B、J340.571K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
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Related reactions
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Compound notes
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