(4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one

C17H13NO2 — CID 5384655

IUPAC(4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one
SMILESC/C(=C1/N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C17H13NO2/c1-12(13-8-4-2-5-9-13)15-17(19)20-16(18-15)14-10-6-3-7-11-14/h2-11H,1H3/b15-12-
InChIKeyTYPJAOYNIKQSCQ-QINSGFPZSA-N
MW263.30 g/mol
LogP3.42
Rot. Bonds2

About (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one

(4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one (PubChem CID 5384655) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one
PubChem CID5384655
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one
SMILESC/C(=C1/N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C17H13NO2/c1-12(13-8-4-2-5-9-13)15-17(19)20-16(18-15)14-10-6-3-7-11-14/h2-11H,1H3/b15-12-
InChIKeyTYPJAOYNIKQSCQ-QINSGFPZSA-N
XLogP3.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one (CID 5384655) is (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one is C/C(=C1/N=C(c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one?
The InChIKey is TYPJAOYNIKQSCQ-QINSGFPZSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12(13-8-4-2-5-9-13)15-17(19)20-16(18-15)14-10-6-3-7-11-14/h2-11H,1H3/b15-12-.
What are the key properties of (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one?
(4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one has a molecular weight of 263.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 5384655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).