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

C24H18BrNO3 — CID 19667976

IUPAC(4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccccc1C1=N/C(=C\c2ccccc2OCc2ccccc2Br)C(=O)O1
InChIInChI=1S/C24H18BrNO3/c1-16-8-2-5-11-19(16)23-26-21(24(27)29-23)14-17-9-4-7-13-22(17)28-15-18-10-3-6-12-20(18)25/h2-14H,15H2,1H3/b21-14-
InChIKeyVFCMTQYFYMDVDR-STZFKDTASA-N
MW448.32 g/mol
LogP5.68
Rot. Bonds5

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

(4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one (PubChem CID 19667976) has the molecular formula C24H18BrNO3 and a molecular weight of 448.32 g/mol. Its IUPAC name is (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
PubChem CID19667976
Molecular FormulaC24H18BrNO3
Molecular Weight448.32 g/mol
Exact Mass447.05
IUPAC Name(4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccccc1C1=N/C(=C\c2ccccc2OCc2ccccc2Br)C(=O)O1
InChIInChI=1S/C24H18BrNO3/c1-16-8-2-5-11-19(16)23-26-21(24(27)29-23)14-17-9-4-7-13-22(17)28-15-18-10-3-6-12-20(18)25/h2-14H,15H2,1H3/b21-14-
InChIKeyVFCMTQYFYMDVDR-STZFKDTASA-N
XLogP5.68
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-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-(2-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669382
(4Z)-4-[[2-[(2-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668015
(4Z)-2-(4-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19662915
(4Z)-2-(2-methylphenyl)-4-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19667872
(4Z)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667989
(4Z)-2-(4-methylphenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19664483
(4Z)-2-(2-bromophenyl)-4-[(2-butoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19669487
(4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19670595
(4Z)-4-[[2-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 19669155
(4Z)-4-[[4-[(2-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667981
(4Z)-2-(2-bromophenyl)-4-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669251
(4Z)-4-[[2-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663955

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one (CID 19667976) is (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one is Cc1ccccc1C1=N/C(=C\c2ccccc2OCc2ccccc2Br)C(=O)O1.
What is the InChIKey of (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?
The InChIKey is VFCMTQYFYMDVDR-STZFKDTASA-N. The full InChI is InChI=1S/C24H18BrNO3/c1-16-8-2-5-11-19(16)23-26-21(24(27)29-23)14-17-9-4-7-13-22(17)28-15-18-10-3-6-12-20(18)25/h2-14H,15H2,1H3/b21-14-.
What are the key properties of (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 448.32 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19667976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).