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

C24H16Br2INO3 — CID 19670855

IUPAC(4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(I)cc2)=N/C1=C\c1cc(Br)c(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C24H16Br2INO3/c25-19-12-16(13-20(26)22(19)30-11-10-15-4-2-1-3-5-15)14-21-24(29)31-23(28-21)17-6-8-18(27)9-7-17/h1-9,12-14H,10-11H2/b21-14-
InChIKeyLAWFHTMJQJDSHJ-STZFKDTASA-N
MW653.11 g/mol
LogP6.78
Rot. Bonds6

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

(4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one (PubChem CID 19670855) has the molecular formula C24H16Br2INO3 and a molecular weight of 653.11 g/mol. Its IUPAC name is (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
PubChem CID19670855
Molecular FormulaC24H16Br2INO3
Molecular Weight653.11 g/mol
Exact Mass650.85
IUPAC Name(4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(I)cc2)=N/C1=C\c1cc(Br)c(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C24H16Br2INO3/c25-19-12-16(13-20(26)22(19)30-11-10-15-4-2-1-3-5-15)14-21-24(29)31-23(28-21)17-6-8-18(27)9-7-17/h1-9,12-14H,10-11H2/b21-14-
InChIKeyLAWFHTMJQJDSHJ-STZFKDTASA-N
XLogP6.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.11
LogP ≤ 56.78
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-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-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)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665661
methyl 2-[2,6-dibromo-4-[(Z)-[2-(4-iodophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate
CID 19670879
(4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(3-methyl-4-nitrophenyl)-1,3-oxazol-5-one
CID 19667649
(4Z)-4-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 19674746
(4Z)-2-(2-bromophenyl)-4-[[3,5-diiodo-4-(2-phenylethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 19669520
(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665336
(4Z)-4-[[3-bromo-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663780
(4Z)-4-[[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670782
(4Z)-4-[[3-bromo-4-[(3-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665549
(4Z)-4-[[3-ethoxy-5-iodo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665668
(4Z)-4-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663714
(4Z)-4-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670633

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one (CID 19670855) is (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccc(I)cc2)=N/C1=C\c1cc(Br)c(OCCc2ccccc2)c(Br)c1.
What is the InChIKey of (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one?
The InChIKey is LAWFHTMJQJDSHJ-STZFKDTASA-N. The full InChI is InChI=1S/C24H16Br2INO3/c25-19-12-16(13-20(26)22(19)30-11-10-15-4-2-1-3-5-15)14-21-24(29)31-23(28-21)17-6-8-18(27)9-7-17/h1-9,12-14H,10-11H2/b21-14-.
What are the key properties of (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one?
(4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one has a molecular weight of 653.11 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[3,5-dibromo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19670855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).