5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

C17H11Cl2F4NO — CID 23159813

IUPAC5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1F
InChIInChI=1S/C17H11Cl2F4NO/c1-9-2-3-10(4-14(9)20)15-8-16(25-24-15,17(21,22)23)11-5-12(18)7-13(19)6-11/h2-7H,8H2,1H3
InChIKeyHHQDSKSNARRMKC-UHFFFAOYSA-N
MW392.18 g/mol
LogP6.02
Rot. Bonds2

About 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 23159813) has the molecular formula C17H11Cl2F4NO and a molecular weight of 392.18 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID23159813
Molecular FormulaC17H11Cl2F4NO
Molecular Weight392.18 g/mol
Exact Mass391.02
IUPAC Name5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1F
InChIInChI=1S/C17H11Cl2F4NO/c1-9-2-3-10(4-14(9)20)15-8-16(25-24-15,17(21,22)23)11-5-12(18)7-13(19)6-11/h2-7H,8H2,1H3
InChIKeyHHQDSKSNARRMKC-UHFFFAOYSA-N
XLogP6.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.18
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole 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

(5R)-5-(3,5-dichloro-4-fluorophenyl)-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 71572007
5-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3,3-dimethylbenzo[c][1,2]oxaborol-1(3H)-ol
CID 78116773
5-(3,5-Dichlorophenyl)-3-(4-(methylthio)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 16049848
3-(4-Bromomethyl-3-fluorophenyl)-5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole
CID 23159810
5-(3,5-Dichlorophenyl)-3-(3-fluoro-4-hydroxymethylphenyl)-5-trifluoromethyl-4,5-dihydroisoxazole
CID 23159818
3-(4-Acetoxymethyl-3-fluorophenyl)-5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole
CID 23159825
5-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chloro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 25157374
3-(4-chloro-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 25157663
3-[4-(Aminomethyl)phenyl]-5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole
CID 44628234
N-(5-(5-(3,5-dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-3-isoxazolyl)-2-methylphenyl)methoxyacetamide
CID 53628316
5-(3,5-dichloro-4-fluorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 58079776
5-(3,5-Dichlorophenyl)-3-(4-(3-fluoroazetidin-3-yl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 58079827

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 23159813) is 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1F.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is HHQDSKSNARRMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F4NO/c1-9-2-3-10(4-14(9)20)15-8-16(25-24-15,17(21,22)23)11-5-12(18)7-13(19)6-11/h2-7H,8H2,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 392.18 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 23159813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).