(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide

C11H17N3O2 — CID 97062241

IUPAC(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1Cc1ccon1
InChIInChI=1S/C11H17N3O2/c1-12-11(15)10-4-2-3-6-14(10)8-9-5-7-16-13-9/h5,7,10H,2-4,6,8H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyLSAUGUGXHMPEAX-JTQLQIEISA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds3

About (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide

(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 97062241) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
PubChem CID97062241
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1Cc1ccon1
InChIInChI=1S/C11H17N3O2/c1-12-11(15)10-4-2-3-6-14(10)8-9-5-7-16-13-9/h5,7,10H,2-4,6,8H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyLSAUGUGXHMPEAX-JTQLQIEISA-N
XLogP0.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide (CID 97062241) is (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide is CNC(=O)[C@@H]1CCCCN1Cc1ccon1.
What is the InChIKey of (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is LSAUGUGXHMPEAX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-11(15)10-4-2-3-6-14(10)8-9-5-7-16-13-9/h5,7,10H,2-4,6,8H2,1H3,(H,12,15)/t10-/m0/s1.
What are the key properties of (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide?
(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 97062241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).