(4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one

C20H19NO2 — CID 46704199

IUPAC(4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one
SMILESCc1ccc(C2=NOC(=O)/C2=C\c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-13(2)16-10-6-15(7-11-16)12-18-19(21-23-20(18)22)17-8-4-14(3)5-9-17/h4-13H,1-3H3/b18-12-
InChIKeyGHLCSBMCIOXPJA-PDGQHHTCSA-N
MW305.38 g/mol
LogP4.46
Rot. Bonds3

About (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one

(4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 46704199) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID46704199
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one
SMILESCc1ccc(C2=NOC(=O)/C2=C\c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-13(2)16-10-6-15(7-11-16)12-18-19(21-23-20(18)22)17-8-4-14(3)5-9-17/h4-13H,1-3H3/b18-12-
InChIKeyGHLCSBMCIOXPJA-PDGQHHTCSA-N
XLogP4.46
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.46
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'}

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Related Compounds

3-(4-bromophenyl)-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
CID 4573635
3-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2-oxazol-5-one
CID 171131858
4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 4268049
(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
CID 718659
(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
[4-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzoate
CID 3288875
[4-[(Z)-[3-(4-fluorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 139254271
4-[(4-fluoro-3-phenoxyphenyl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one
CID 576693
(4Z)-4-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679281
[2-chloro-4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 126083256
[4-[(Z)-[5-oxo-3-(4-pyridin-2-ylphenyl)-1,2-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 139254274
(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
CID 13199479

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one (CID 46704199) is (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one is Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is GHLCSBMCIOXPJA-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13(2)16-10-6-15(7-11-16)12-18-19(21-23-20(18)22)17-8-4-14(3)5-9-17/h4-13H,1-3H3/b18-12-.
What are the key properties of (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one?
(4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 305.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 46704199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).