(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide

C20H24ClN3O3 — CID 70865325

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H24ClN3O3/c1-20(2,3)16-12-17(23-27-16)22-18(25)15-6-4-5-11-24(15)19(26)13-7-9-14(21)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,22,23,25)/t15-/m0/s1
InChIKeyMGVVAKUKTUABJC-HNNXBMFYSA-N
MW389.88 g/mol
LogP4.26
Rot. Bonds3

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide (PubChem CID 70865325) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide
PubChem CID70865325
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H24ClN3O3/c1-20(2,3)16-12-17(23-27-16)22-18(25)15-6-4-5-11-24(15)19(26)13-7-9-14(21)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,22,23,25)/t15-/m0/s1
InChIKeyMGVVAKUKTUABJC-HNNXBMFYSA-N
XLogP4.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-N-(5-methyl-3-isoxazolyl)benzamide
CID 670270
(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
4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 739409
(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-chlorophenyl)-6-oxopiperidine-2-carboxamide
CID 70865026
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-chlorobenzoyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide (CID 70865325) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide?
The InChIKey is MGVVAKUKTUABJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-20(2,3)16-12-17(23-27-16)22-18(25)15-6-4-5-11-24(15)19(26)13-7-9-14(21)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,22,23,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 4.26, 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-chlorobenzoyl)piperidine-2-carboxamide is sourced from PubChem (CID 70865325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).