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

C19H31N3O3 — CID 58563758

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1
InChIInChI=1S/C19H31N3O3/c1-19(2,3)16-12-17(21-25-16)20-18(23)15-6-4-5-9-22(15)13-14-7-10-24-11-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,20,21,23)/t15-/m0/s1
InChIKeyNUUWVBTXTPYRQK-HNNXBMFYSA-N
MW349.48 g/mol
LogP3.19
Rot. Bonds4

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

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 58563758) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide
PubChem CID58563758
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1
InChIInChI=1S/C19H31N3O3/c1-19(2,3)16-12-17(21-25-16)20-18(23)15-6-4-5-9-22(15)13-14-7-10-24-11-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,20,21,23)/t15-/m0/s1
InChIKeyNUUWVBTXTPYRQK-HNNXBMFYSA-N
XLogP3.19
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide (CID 58563758) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is NUUWVBTXTPYRQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-19(2,3)16-12-17(21-25-16)20-18(23)15-6-4-5-9-22(15)13-14-7-10-24-11-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,20,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 58563758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).