(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one

C19H17NO2 — CID 13199479

IUPAC(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
SMILESCc1cc(C)c(/C=C2\C(=O)ON=C2c2ccccc2)c(C)c1
InChIInChI=1S/C19H17NO2/c1-12-9-13(2)16(14(3)10-12)11-17-18(20-22-19(17)21)15-7-5-4-6-8-15/h4-11H,1-3H3/b17-11-
InChIKeyJCCAOHVUEXIFQM-BOPFTXTBSA-N
MW291.35 g/mol
LogP3.96
Rot. Bonds2

About (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one

(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 13199479) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID13199479
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
SMILESCc1cc(C)c(/C=C2\C(=O)ON=C2c2ccccc2)c(C)c1
InChIInChI=1S/C19H17NO2/c1-12-9-13(2)16(14(3)10-12)11-17-18(20-22-19(17)21)15-7-5-4-6-8-15/h4-11H,1-3H3/b17-11-
InChIKeyJCCAOHVUEXIFQM-BOPFTXTBSA-N
XLogP3.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,5-dimethylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 3344955
4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 4268049
(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
CID 88977221
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 171131683
3-(4-bromophenyl)-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
CID 4573635
4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 3567474
[2-chloro-4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 126083256
(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
(4Z)-4-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679281
[4-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzoate
CID 3288875
3-phenyl-4-(phenylsulfanylmethylidene)-1,2-oxazol-5-one
CID 71391559

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one (CID 13199479) is (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one is Cc1cc(C)c(/C=C2\C(=O)ON=C2c2ccccc2)c(C)c1.
What is the InChIKey of (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is JCCAOHVUEXIFQM-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12-9-13(2)16(14(3)10-12)11-17-18(20-22-19(17)21)15-7-5-4-6-8-15/h4-11H,1-3H3/b17-11-.
What are the key properties of (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one?
(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 291.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 13199479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).