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

C20H15N3O2 — CID 17491629

IUPAC(4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccccc1C1=N/C(=C\c2ccc(-n3ccnc3)cc2)C(=O)O1
InChIInChI=1S/C20H15N3O2/c1-14-4-2-3-5-17(14)19-22-18(20(24)25-19)12-15-6-8-16(9-7-15)23-11-10-21-13-23/h2-13H,1H3/b18-12-
InChIKeyQSLUXXOAKCMCER-PDGQHHTCSA-N
MW329.36 g/mol
LogP3.53
Rot. Bonds3

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

(4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one (PubChem CID 17491629) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
PubChem CID17491629
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name(4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccccc1C1=N/C(=C\c2ccc(-n3ccnc3)cc2)C(=O)O1
InChIInChI=1S/C20H15N3O2/c1-14-4-2-3-5-17(14)19-22-18(20(24)25-19)12-15-6-8-16(9-7-15)23-11-10-21-13-23/h2-13H,1H3/b18-12-
InChIKeyQSLUXXOAKCMCER-PDGQHHTCSA-N
XLogP3.53
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-(2-methylphenyl)-4-[[4-[(Z)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 93051206
(4E)-4-[(4-iodophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 20834643
(4E)-4-[(4-chlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 2243834
(4Z)-2-(2-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 5399618
2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 3109231
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 5399614
(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 56689330
[4-[(Z)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-chlorobenzoate
CID 19668176
(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19667858
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 108937601
(4E)-2-(2-methoxyphenyl)-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 56689174
(4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 6952327

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one (CID 17491629) is (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one is Cc1ccccc1C1=N/C(=C\c2ccc(-n3ccnc3)cc2)C(=O)O1.
What is the InChIKey of (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?
The InChIKey is QSLUXXOAKCMCER-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-14-4-2-3-5-17(14)19-22-18(20(24)25-19)12-15-6-8-16(9-7-15)23-11-10-21-13-23/h2-13H,1H3/b18-12-.
What are the key properties of (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 329.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 17491629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).