(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide

C19H22ClN3O3 — CID 70865026

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCC(=O)N2c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H22ClN3O3/c1-19(2,3)15-11-16(22-26-15)21-18(25)14-5-4-6-17(24)23(14)13-9-7-12(20)8-10-13/h7-11,14H,4-6H2,1-3H3,(H,21,22,25)/t14-/m0/s1
InChIKeyRGOCFGYJQHWSTE-AWEZNQCLSA-N
MW375.86 g/mol
LogP4.15
Rot. Bonds3

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide (PubChem CID 70865026) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide
PubChem CID70865026
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCC(=O)N2c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H22ClN3O3/c1-19(2,3)15-11-16(22-26-15)21-18(25)14-5-4-6-17(24)23(14)13-9-7-12(20)8-10-13/h7-11,14H,4-6H2,1-3H3,(H,21,22,25)/t14-/m0/s1
InChIKeyRGOCFGYJQHWSTE-AWEZNQCLSA-N
XLogP4.15
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)piperidine-2-carboxamide
CID 46873203
(S)-1-(4-chloro-phenyl)-2-methyl-pyrrolidine-2-carboxylic acid (5-tert-butyl-isoxazol-3-yl)-amide
CID 67455563
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 67953283
1-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160150
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 707003
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 46843432
(2S)-1-benzoyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46872383
(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46873411
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-chlorophenyl)methyl]piperidine-2-carboxamide
CID 46873412
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 67953290
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide
CID 70865325
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 683178

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide (CID 70865026) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCC(=O)N2c2ccc(Cl)cc2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide?
The InChIKey is RGOCFGYJQHWSTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-19(2,3)15-11-16(22-26-15)21-18(25)14-5-4-6-17(24)23(14)13-9-7-12(20)8-10-13/h7-11,14H,4-6H2,1-3H3,(H,21,22,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 70865026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).