N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide

C12H19N3O2 — CID 115672491

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide
SMILESCc1noc(NC(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C12H19N3O2/c1-8-4-6-15(7-5-8)12(16)13-11-9(2)10(3)14-17-11/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyACGZGVJPWOPQCC-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.56
Rot. Bonds1

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 115672491) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide
PubChem CID115672491
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide
SMILESCc1noc(NC(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C12H19N3O2/c1-8-4-6-15(7-5-8)12(16)13-11-9(2)10(3)14-17-11/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyACGZGVJPWOPQCC-UHFFFAOYSA-N
XLogP2.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide (CID 115672491) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide is Cc1noc(NC(=O)N2CCC(C)CC2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is ACGZGVJPWOPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-4-6-15(7-5-8)12(16)13-11-9(2)10(3)14-17-11/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115672491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).