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

C17H27N3O2 — CID 46873415

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CC2)no1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)14-10-15(19-22-14)18-16(21)13-6-4-5-9-20(13)11-12-7-8-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,19,21)/t13-/m0/s1
InChIKeyAJQXBGMQGOBICG-ZDUSSCGKSA-N
MW305.42 g/mol
LogP3.18
Rot. Bonds4

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

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide (PubChem CID 46873415) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide
PubChem CID46873415
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CC2)no1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)14-10-15(19-22-14)18-16(21)13-6-4-5-9-20(13)11-12-7-8-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,19,21)/t13-/m0/s1
InChIKeyAJQXBGMQGOBICG-ZDUSSCGKSA-N
XLogP3.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.18
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-(cyclopropylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide (CID 46873415) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CC2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide?
The InChIKey is AJQXBGMQGOBICG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)14-10-15(19-22-14)18-16(21)13-6-4-5-9-20(13)11-12-7-8-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)piperidine-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.18, 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-(cyclopropylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 46873415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).