3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole

C19H10ClF4N3O — CID 141345530

IUPAC3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1cccc(Cl)c1-c1cc(-c2cnn(-c3ccccc3)c2C(F)(F)F)on1
InChIInChI=1S/C19H10ClF4N3O/c20-13-7-4-8-14(21)17(13)15-9-16(28-26-15)12-10-25-27(18(12)19(22,23)24)11-5-2-1-3-6-11/h1-10H
InChIKeyVGVKGZWSWNDGAM-UHFFFAOYSA-N
MW407.75 g/mol
LogP6.01
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (PubChem CID 141345530) has the molecular formula C19H10ClF4N3O and a molecular weight of 407.75 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
PubChem CID141345530
Molecular FormulaC19H10ClF4N3O
Molecular Weight407.75 g/mol
Exact Mass407.04
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1cccc(Cl)c1-c1cc(-c2cnn(-c3ccccc3)c2C(F)(F)F)on1
InChIInChI=1S/C19H10ClF4N3O/c20-13-7-4-8-14(21)17(13)15-9-16(28-26-15)12-10-25-27(18(12)19(22,23)24)11-5-2-1-3-6-11/h1-10H
InChIKeyVGVKGZWSWNDGAM-UHFFFAOYSA-N
XLogP6.01
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.75
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-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

3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
CID 123684853
3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
CID 123324387
ethyl 4-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxylate
CID 123885525
[3-(2-chloro-6-fluorophenyl)-5-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazol-4-yl]methanetriol
CID 169239043
3-(2-chloro-6-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carbothioic S-acid
CID 88850164
3-(2-chloro-6-fluorophenyl)-5-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-[dideuterio(trideuteriomethoxy)methyl]-1,2-oxazole
CID 176842434
3-(2-chloro-6-fluorophenyl)-5-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-(4,5-dideuterio-1,3-thiazol-2-yl)-1,2-oxazole
CID 176842442
O-methyl 3-(2-chloro-6-fluorophenyl)-5-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carbothioate
CID 123150787
[3-(2-chloro-6-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazol-4-yl]-morpholin-4-ylmethanethione
CID 88850364
5-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(2-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 123415620
3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylic acid
CID 123211367
3-(2-chloro-6-fluorophenyl)-N-diazenyl-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 137037060

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (CID 141345530) is 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is Fc1cccc(Cl)c1-c1cc(-c2cnn(-c3ccccc3)c2C(F)(F)F)on1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The InChIKey is VGVKGZWSWNDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF4N3O/c20-13-7-4-8-14(21)17(13)15-9-16(28-26-15)12-10-25-27(18(12)19(22,23)24)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole has a molecular weight of 407.75 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 141345530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).