4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

C24H17Cl2NO4 — CID 3966051

IUPAC4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C=C2N=C(c3ccccc3)OC2=O)c1
InChIInChI=1S/C24H17Cl2NO4/c1-29-18-8-10-22(30-14-15-7-9-19(25)20(26)11-15)17(12-18)13-21-24(28)31-23(27-21)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyJTESTRZGKRMEMI-UHFFFAOYSA-N
MW454.31 g/mol
LogP5.93
Rot. Bonds6

About 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 3966051) has the molecular formula C24H17Cl2NO4 and a molecular weight of 454.31 g/mol. Its IUPAC name is 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID3966051
Molecular FormulaC24H17Cl2NO4
Molecular Weight454.31 g/mol
Exact Mass453.05
IUPAC Name4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C=C2N=C(c3ccccc3)OC2=O)c1
InChIInChI=1S/C24H17Cl2NO4/c1-29-18-8-10-22(30-14-15-7-9-19(25)20(26)11-15)17(12-18)13-21-24(28)31-23(27-21)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyJTESTRZGKRMEMI-UHFFFAOYSA-N
XLogP5.93
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]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

4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4280278
(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2180782
(4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 10042686
(4E)-4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 2266772
4-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 822677
4-[[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4198765
N-[4-[(4Z)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666666
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3098301
4-[(2,5-dimethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 5218234
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 920256
2-(3-bromophenyl)-4-[(2,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2875015
(4Z)-2-(3,4-dichlorophenyl)-4-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672698

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 3966051) is 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is COc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C=C2N=C(c3ccccc3)OC2=O)c1.
What is the InChIKey of 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is JTESTRZGKRMEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO4/c1-29-18-8-10-22(30-14-15-7-9-19(25)20(26)11-15)17(12-18)13-21-24(28)31-23(27-21)16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 454.31 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 3966051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).