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

C17H8Cl2F3NO3 — CID 6524681

IUPAC(4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H8Cl2F3NO3/c18-10-3-6-12(13(19)8-10)15-23-14(16(24)25-15)7-9-1-4-11(5-2-9)26-17(20,21)22/h1-8H/b14-7-
InChIKeyNLZQGYXPKKRIPI-AUWJEWJLSA-N
MW402.16 g/mol
LogP5.24
Rot. Bonds3

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

(4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 6524681) has the molecular formula C17H8Cl2F3NO3 and a molecular weight of 402.16 g/mol. Its IUPAC name is (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID6524681
Molecular FormulaC17H8Cl2F3NO3
Molecular Weight402.16 g/mol
Exact Mass400.98
IUPAC Name(4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H8Cl2F3NO3/c18-10-3-6-12(13(19)8-10)15-23-14(16(24)25-15)7-9-1-4-11(5-2-9)26-17(20,21)22/h1-8H/b14-7-
InChIKeyNLZQGYXPKKRIPI-AUWJEWJLSA-N
XLogP5.24
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.16
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-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

(4E)-2-[(E)-2-(4-chlorophenyl)vinyl]-4-[(2E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5(4H)-one
CID 6534115
(4Z)-4-(2,4-Dichlorobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one
CID 1551396
(4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 781335
2-(2,4-Dichlorophenyl)-4-[(3-fluorophenyl)methylene]-1,3-oxazolin-5-one
CID 739980
(4Z)-2-(2,4-Dichlorophenyl)-4-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 786162
(4Z)-2-(2-Chloro-4,5-difluorophenyl)-4-[(4-ethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 1270626
4-[(2,4-Dichlorophenyl)methylene]-2-(2-fluorophenyl)-1,3-oxazolin-5-one
CID 1713650
(4Z)-2-(2-Chloro-4,5-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 2302772
(4Z)-2-(2-Chloro-4,5-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 2317178
4-{[4-(Difluoromethoxy)phenyl]methylene}-2-phenyl-1,3-oxazolin-5-one
CID 2341962
(4Z)-4-[(2-Chloro-6-fluorophenyl)methylidene]-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
CID 5783256
(4Z)-4-[(2-Chloro-6-fluorophenyl)methylidene]-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-5-one
CID 5812781

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one (CID 6524681) is (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is NLZQGYXPKKRIPI-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H8Cl2F3NO3/c18-10-3-6-12(13(19)8-10)15-23-14(16(24)25-15)7-9-1-4-11(5-2-9)26-17(20,21)22/h1-8H/b14-7-.
What are the key properties of (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 402.16 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6524681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).