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

C24H18INO3 — CID 19662014

IUPAC(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccc(OCc4cccc(I)c4)cc3)C(=O)O2)cc1
InChIInChI=1S/C24H18INO3/c1-16-5-9-19(10-6-16)23-26-22(24(27)29-23)14-17-7-11-21(12-8-17)28-15-18-3-2-4-20(25)13-18/h2-14H,15H2,1H3/b22-14-
InChIKeyCOGXLPAQNBSFHW-HMAPJEAMSA-N
MW495.32 g/mol
LogP5.52
Rot. Bonds5

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

(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one (PubChem CID 19662014) has the molecular formula C24H18INO3 and a molecular weight of 495.32 g/mol. Its IUPAC name is (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
PubChem CID19662014
Molecular FormulaC24H18INO3
Molecular Weight495.32 g/mol
Exact Mass495.03
IUPAC Name(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccc(OCc4cccc(I)c4)cc3)C(=O)O2)cc1
InChIInChI=1S/C24H18INO3/c1-16-5-9-19(10-6-16)23-26-22(24(27)29-23)14-17-7-11-21(12-8-17)28-15-18-3-2-4-20(25)13-18/h2-14H,15H2,1H3/b22-14-
InChIKeyCOGXLPAQNBSFHW-HMAPJEAMSA-N
XLogP5.52
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.32
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-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

4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4152824
(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668000
(4E)-4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 2266772
(4Z)-2-(4-iodophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5285822
(4Z)-4-[[3-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665542
(4Z)-4-[[4-[(3-bromophenyl)methoxy]phenyl]methylidene]-2-(4-iodo-3-methylphenyl)-1,3-oxazol-5-one
CID 19671807
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665278
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 740848
(4Z)-2-(3-bromo-4-iodophenyl)-4-[[3-[(3-iodophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19671289
(4Z)-4-[[3-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19664522
(4Z)-4-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19664558
(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19667858

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one (CID 19662014) is (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one is Cc1ccc(C2=N/C(=C\c3ccc(OCc4cccc(I)c4)cc3)C(=O)O2)cc1.
What is the InChIKey of (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The InChIKey is COGXLPAQNBSFHW-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H18INO3/c1-16-5-9-19(10-6-16)23-26-22(24(27)29-23)14-17-7-11-21(12-8-17)28-15-18-3-2-4-20(25)13-18/h2-14H,15H2,1H3/b22-14-.
What are the key properties of (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 495.32 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19662014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).