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

C17H29N3O2 — CID 46873414

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CN1CCCC[C@H]1C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C17H29N3O2/c1-12(2)11-20-9-7-6-8-13(20)16(21)18-15-10-14(22-19-15)17(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,18,19,21)/t13-/m0/s1
InChIKeyXTBJGGIGUILIIK-ZDUSSCGKSA-N
MW307.44 g/mol
LogP3.42
Rot. Bonds4

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

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide (PubChem CID 46873414) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide
PubChem CID46873414
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CN1CCCC[C@H]1C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C17H29N3O2/c1-12(2)11-20-9-7-6-8-13(20)16(21)18-15-10-14(22-19-15)17(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,18,19,21)/t13-/m0/s1
InChIKeyXTBJGGIGUILIIK-ZDUSSCGKSA-N
XLogP3.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide (CID 46873414) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide is CC(C)CN1CCCC[C@H]1C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide?
The InChIKey is XTBJGGIGUILIIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)11-20-9-7-6-8-13(20)16(21)18-15-10-14(22-19-15)17(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,18,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(2-methylpropyl)piperidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.42, 4 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-(2-methylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 46873414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).