4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide

C11H17N3O2 — CID 66334811

IUPAC4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCC1CCNCC1
InChIInChI=1S/C11H17N3O2/c1-8-6-14-16-10(8)11(15)13-7-9-2-4-12-5-3-9/h6,9,12H,2-5,7H2,1H3,(H,13,15)
InChIKeyMHXCFESIQZYENC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.71
Rot. Bonds3

About 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide

4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 66334811) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID66334811
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCC1CCNCC1
InChIInChI=1S/C11H17N3O2/c1-8-6-14-16-10(8)11(15)13-7-9-2-4-12-5-3-9/h6,9,12H,2-5,7H2,1H3,(H,13,15)
InChIKeyMHXCFESIQZYENC-UHFFFAOYSA-N
XLogP0.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide (CID 66334811) is 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCC1CCNCC1.
What is the InChIKey of 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is MHXCFESIQZYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-6-14-16-10(8)11(15)13-7-9-2-4-12-5-3-9/h6,9,12H,2-5,7H2,1H3,(H,13,15).
What are the key properties of 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66334811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).