2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one

C17H12BrNO2 — CID 4114586

IUPAC2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccccc1C=C1N=C(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C17H12BrNO2/c1-11-4-2-3-5-13(11)10-15-17(20)21-16(19-15)12-6-8-14(18)9-7-12/h2-10H,1H3
InChIKeyOGQOUGXJAAIWCS-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.10
Rot. Bonds2

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

2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 4114586) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID4114586
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccccc1C=C1N=C(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C17H12BrNO2/c1-11-4-2-3-5-13(11)10-15-17(20)21-16(19-15)12-6-8-14(18)9-7-12/h2-10H,1H3
InChIKeyOGQOUGXJAAIWCS-UHFFFAOYSA-N
XLogP4.10
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-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

(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 1103706
(4Z)-2-(2-fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 687443
(4Z)-2-(4-bromophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2180588
[2-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] benzenesulfonate
CID 2271930
4-[(4-bromophenyl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5-one
CID 3102617
2-(4-bromophenyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one
CID 1110841
(4Z)-2-(4-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19662915
2-(4-bromophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 2890621
4-[(4-bromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 833873
(4E)-2-(4-bromophenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one
CID 18532776
(4Z)-2-(4-methylphenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19664483
4-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(3-iodo-4-methylphenyl)-1,3-oxazol-5-one
CID 5097996

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one (CID 4114586) is 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one is Cc1ccccc1C=C1N=C(c2ccc(Br)cc2)OC1=O.
What is the InChIKey of 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is OGQOUGXJAAIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c1-11-4-2-3-5-13(11)10-15-17(20)21-16(19-15)12-6-8-14(18)9-7-12/h2-10H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one?
2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 342.19 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 4114586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).