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

C20H27N3O2 — CID 46873411

IUPAC(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)no1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)17-13-18(22-25-17)21-19(24)16-11-7-8-12-23(16)14-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H,21,22,24)/t16-/m0/s1
InChIKeyFTDHOAGOSGYTGE-INIZCTEOSA-N
MW341.46 g/mol
LogP3.97
Rot. Bonds4

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

(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide (PubChem CID 46873411) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
PubChem CID46873411
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)no1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)17-13-18(22-25-17)21-19(24)16-11-7-8-12-23(16)14-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H,21,22,24)/t16-/m0/s1
InChIKeyFTDHOAGOSGYTGE-INIZCTEOSA-N
XLogP3.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide (CID 46873411) is (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)no1.
What is the InChIKey of (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The InChIKey is FTDHOAGOSGYTGE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)17-13-18(22-25-17)21-19(24)16-11-7-8-12-23(16)14-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H,21,22,24)/t16-/m0/s1.
What are the key properties of (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 46873411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).