(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]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)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(C(F)(F)F)cn2)no1
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
MW396.41 g/mol
LogP4.38
Rot. Bonds3

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

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide (PubChem CID 46861579) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 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)-2-pyridinyl]piperidine-2-carboxamide
PubChem CID46861579
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 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)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(C(F)(F)F)cn2)no1
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
XLogP4.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)picolinamide
CID 11280411
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 46239964
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]azetidine-2-carboxamide
CID 49847679
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 54761162
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide
CID 54761676
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyridine-2-carboxamide
CID 60055686
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953431
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953836
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953851
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide
CID 71461137
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide
CID 25267089
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 25269919

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]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)-2-pyridinyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(C(F)(F)F)cn2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]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)-2-pyridinyl]piperidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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)-2-pyridinyl]piperidine-2-carboxamide is sourced from PubChem (CID 46861579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).