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

C23H14ClI2NO3 — CID 19663737

IUPAC(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1
InChIInChI=1S/C23H14ClI2NO3/c24-17-9-5-4-8-16(17)13-29-21-18(25)10-14(11-19(21)26)12-20-23(28)30-22(27-20)15-6-2-1-3-7-15/h1-12H,13H2/b20-12-
InChIKeySNNMAFVGMOPIKQ-NDENLUEZSA-N
MW641.63 g/mol
LogP6.47
Rot. Bonds5

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

(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 19663737) has the molecular formula C23H14ClI2NO3 and a molecular weight of 641.63 g/mol. Its IUPAC name is (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID19663737
Molecular FormulaC23H14ClI2NO3
Molecular Weight641.63 g/mol
Exact Mass640.88
IUPAC Name(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1
InChIInChI=1S/C23H14ClI2NO3/c24-17-9-5-4-8-16(17)13-29-21-18(25)10-14(11-19(21)26)12-20-23(28)30-22(27-20)15-6-2-1-3-7-15/h1-12H,13H2/b20-12-
InChIKeySNNMAFVGMOPIKQ-NDENLUEZSA-N
XLogP6.47
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.63
LogP ≤ 56.47
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-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-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-(3-bromo-4-iodophenyl)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-oxazol-5-one
CID 19671235
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-(4-iodo-3-methylphenyl)-1,3-oxazol-5-one
CID 19671793
(4Z)-4-[[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663705
(4Z)-4-[[3-iodo-4-[(2-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663801
(4Z)-4-[[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663654
(4Z)-4-[[3,5-diiodo-4-[(2-iodophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 19665986
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3098301
(4Z)-4-[[3,5-diiodo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-(4-iodo-3-methylphenyl)-1,3-oxazol-5-one
CID 19671687
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665485
(4Z)-4-[[3,5-diiodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665397
(4Z)-4-[[3-iodo-4-[(2-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19662036
4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3098302

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 19663737) is (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1.
What is the InChIKey of (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is SNNMAFVGMOPIKQ-NDENLUEZSA-N. The full InChI is InChI=1S/C23H14ClI2NO3/c24-17-9-5-4-8-16(17)13-29-21-18(25)10-14(11-19(21)26)12-20-23(28)30-22(27-20)15-6-2-1-3-7-15/h1-12H,13H2/b20-12-.
What are the key properties of (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 641.63 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 19663737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).