3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole

C17H15F4N3O — CID 141307719

IUPAC3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole
SMILESCC1=COCN1c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1
InChIInChI=1S/C17H15F4N3O/c1-10-8-25-9-23(10)12-4-5-14(13(18)6-12)24-15(11-2-3-11)7-16(22-24)17(19,20)21/h4-8,11H,2-3,9H2,1H3
InChIKeyXDPZLHORWMKFFL-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.56
Rot. Bonds3

About 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole

3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole (PubChem CID 141307719) has the molecular formula C17H15F4N3O and a molecular weight of 353.32 g/mol. Its IUPAC name is 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole
PubChem CID141307719
Molecular FormulaC17H15F4N3O
Molecular Weight353.32 g/mol
Exact Mass353.12
IUPAC Name3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole
SMILESCC1=COCN1c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1
InChIInChI=1S/C17H15F4N3O/c1-10-8-25-9-23(10)12-4-5-14(13(18)6-12)24-15(11-2-3-11)7-16(22-24)17(19,20)21/h4-8,11H,2-3,9H2,1H3
InChIKeyXDPZLHORWMKFFL-UHFFFAOYSA-N
XLogP4.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-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

2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole
CID 141307764
4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
CID 134377497
4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
CID 139967083
1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline
CID 174976483
2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide
CID 151528432
2-chloro-N'-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanimidamide
CID 169368196
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 19627794
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073
1-[4-(bromomethyl)-2-fluorophenyl]-5-methoxy-3-(trifluoromethyl)pyrazole
CID 168841722
1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 156675371
N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride
CID 142797933
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 121139682

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole?
The IUPAC name of 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole (CID 141307719) is 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole.
What is the SMILES notation for 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole?
The canonical SMILES for 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole is CC1=COCN1c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1.
What is the InChIKey of 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole?
The InChIKey is XDPZLHORWMKFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O/c1-10-8-25-9-23(10)12-4-5-14(13(18)6-12)24-15(11-2-3-11)7-16(22-24)17(19,20)21/h4-8,11H,2-3,9H2,1H3.
What are the key properties of 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole?
3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole has a molecular weight of 353.32 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole is sourced from PubChem (CID 141307719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).