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

C19H22ClF3N4O2 — CID 46872043

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)no1
InChIInChI=1S/C19H22ClF3N4O2/c1-18(2,3)14-8-15(26-29-14)25-17(28)11-5-4-6-27(10-11)16-13(20)7-12(9-24-16)19(21,22)23/h7-9,11H,4-6,10H2,1-3H3,(H,25,26,28)
InChIKeyPVYVYDAJEHDNCZ-UHFFFAOYSA-N
MW430.86 g/mol
LogP4.89
Rot. Bonds3

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 46872043) has the molecular formula C19H22ClF3N4O2 and a molecular weight of 430.86 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID46872043
Molecular FormulaC19H22ClF3N4O2
Molecular Weight430.86 g/mol
Exact Mass430.14
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)no1
InChIInChI=1S/C19H22ClF3N4O2/c1-18(2,3)14-8-15(26-29-14)25-17(28)11-5-4-6-27(10-11)16-13(20)7-12(9-24-16)19(21,22)23/h7-9,11H,4-6,10H2,1-3H3,(H,25,26,28)
InChIKeyPVYVYDAJEHDNCZ-UHFFFAOYSA-N
XLogP4.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-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 N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 46872043) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is PVYVYDAJEHDNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N4O2/c1-18(2,3)14-8-15(26-29-14)25-17(28)11-5-4-6-27(10-11)16-13(20)7-12(9-24-16)19(21,22)23/h7-9,11H,4-6,10H2,1-3H3,(H,25,26,28).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 430.86 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 46872043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).