(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide

C19H23F3N4O2 — CID 46861579

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide
SMILESCC(C)(C)C1=CC(=NO1)NC(=O)[C@@H]2CCCCN2C3=NC=C(C=C3)C(F)(F)F
InChIInChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
InChIKeyWPMZHAWRMPKXHR-ZDUSSCGKSA-N
MW396.40 g/mol
LogP4.50
Rot. Bonds4

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide (PubChem CID 46861579) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide
PubChem CID46861579
Molecular FormulaC19H23F3N4O2
Molecular Weight396.40 g/mol
Exact Mass396.18
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide
SMILESCC(C)(C)C1=CC(=NO1)NC(=O)[C@@H]2CCCCN2C3=NC=C(C=C3)C(F)(F)F
InChIInChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
InChIKeyWPMZHAWRMPKXHR-ZDUSSCGKSA-N
XLogP4.50
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity552

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide 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 (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide (CID 46861579) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide is CC(C)(C)C1=CC(=NO1)NC(=O)[C@@H]2CCCCN2C3=NC=C(C=C3)C(F)(F)F.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide?
The InChIKey is WPMZHAWRMPKXHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 46861579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).