2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C17H17F3N2O3 — CID 58428599

IUPAC2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)O)o3)C2)cc1
InChIInChI=1S/C17H17F3N2O3/c1-10-4-6-11(7-5-10)12-3-2-8-22(9-12)16-21-14(17(18,19)20)13(25-16)15(23)24/h4-7,12H,2-3,8-9H2,1H3,(H,23,24)
InChIKeyXCWADXJMVFSQSZ-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.08
Rot. Bonds3

About 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 58428599) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID58428599
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)O)o3)C2)cc1
InChIInChI=1S/C17H17F3N2O3/c1-10-4-6-11(7-5-10)12-3-2-8-22(9-12)16-21-14(17(18,19)20)13(25-16)15(23)24/h4-7,12H,2-3,8-9H2,1H3,(H,23,24)
InChIKeyXCWADXJMVFSQSZ-UHFFFAOYSA-N
XLogP4.08
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid 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

CID 20064733
CID 20064733
CID 57461783
CID 57461783
CID 58428473
CID 58428473
CID 58428508
CID 58428508
CID 58428536
CID 58428536
CID 58428568
CID 58428568
CID 58428571
CID 58428571
CID 58428591
CID 58428591
CID 58428617
CID 58428617
CID 58428642
CID 58428642
CID 58428643
CID 58428643
CID 58428651
CID 58428651

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 58428599) is 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is Cc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)O)o3)C2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is XCWADXJMVFSQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-10-4-6-11(7-5-10)12-3-2-8-22(9-12)16-21-14(17(18,19)20)13(25-16)15(23)24/h4-7,12H,2-3,8-9H2,1H3,(H,23,24).
What are the key properties of 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 354.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 58428599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).