(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C17H17F3N2O2 — CID 24817954

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H17F3N2O2/c1-11-14(15(21-24-11)12-6-3-2-4-7-12)16(23)22-9-5-8-13(10-22)17(18,19)20/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyDHVLVXYOEKKURT-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.06
Rot. Bonds2

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 24817954) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID24817954
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H17F3N2O2/c1-11-14(15(21-24-11)12-6-3-2-4-7-12)16(23)22-9-5-8-13(10-22)17(18,19)20/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyDHVLVXYOEKKURT-UHFFFAOYSA-N
XLogP4.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 24817954) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is DHVLVXYOEKKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-14(15(21-24-11)12-6-3-2-4-7-12)16(23)22-9-5-8-13(10-22)17(18,19)20/h2-4,6-7,13H,5,8-10H2,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 338.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24817954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).