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

C24H18INO3 — CID 19670595

IUPAC(4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESCc1ccccc1COc1ccccc1/C=C1\N=C(c2ccc(I)cc2)OC1=O
InChIInChI=1S/C24H18INO3/c1-16-6-2-3-8-19(16)15-28-22-9-5-4-7-18(22)14-21-24(27)29-23(26-21)17-10-12-20(25)13-11-17/h2-14H,15H2,1H3/b21-14-
InChIKeyHPFODYKHZYEWNY-STZFKDTASA-N
MW495.32 g/mol
LogP5.52
Rot. Bonds5

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

(4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 19670595) has the molecular formula C24H18INO3 and a molecular weight of 495.32 g/mol. Its IUPAC name is (4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID19670595
Molecular FormulaC24H18INO3
Molecular Weight495.32 g/mol
Exact Mass495.03
IUPAC Name(4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESCc1ccccc1COc1ccccc1/C=C1\N=C(c2ccc(I)cc2)OC1=O
InChIInChI=1S/C24H18INO3/c1-16-6-2-3-8-19(16)15-28-22-9-5-4-7-18(22)14-21-24(27)29-23(26-21)17-10-12-20(25)13-11-17/h2-14H,15H2,1H3/b21-14-
InChIKeyHPFODYKHZYEWNY-STZFKDTASA-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'}

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Related Compounds

(4Z)-2-(4-methylphenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19664483
(4Z)-4-[[2-[(2-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668015
(4Z)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667989
(4Z)-4-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670585
(4Z)-2-(4-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19662915
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3098301
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 6269498
(4Z)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667976
4-[(2-butoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 4203564
(4Z)-4-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-iodo-3-methylphenyl)-1,3-oxazol-5-one
CID 19671724
4-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(3-iodo-4-methylphenyl)-1,3-oxazol-5-one
CID 5097996
(4Z)-2-(2-methylphenyl)-4-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19667872

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (CID 19670595) is (4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is Cc1ccccc1COc1ccccc1/C=C1\N=C(c2ccc(I)cc2)OC1=O.
What is the InChIKey of (4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is HPFODYKHZYEWNY-STZFKDTASA-N. The full InChI is InChI=1S/C24H18INO3/c1-16-6-2-3-8-19(16)15-28-22-9-5-4-7-18(22)14-21-24(27)29-23(26-21)17-10-12-20(25)13-11-17/h2-14H,15H2,1H3/b21-14-.
What are the key properties of (4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-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)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19670595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).