N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide

C19H23ClN4O3 — CID 119480892

About N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 119480892) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
• PubChem CID: 119480892
• Molecular Formula: C19H23ClN4O3
• Molecular Weight: 390.87 g/mol
• Exact Mass: 390.15
• IUPAC Name: N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC(C(=O)NCCN)C1
• InChI: InChI=1S/C19H23ClN4O3/c1-12-16(17(23-27-12)14-6-2-3-7-15(14)20)19(26)24-10-4-5-13(11-24)18(25)22-9-8-21/h2-3,6-7,13H,4-5,8-11,21H2,1H3,(H,22,25)
• InChIKey: PYYJDZYGFLYRFK-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 101.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.87
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide?

The IUPAC name of N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide (CID 119480892) is N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide?

The canonical SMILES for N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC(C(=O)NCCN)C1.

What is the InChIKey of N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide?

The InChIKey is PYYJDZYGFLYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12-16(17(23-27-12)14-6-2-3-7-15(14)20)19(26)24-10-4-5-13(11-24)18(25)22-9-8-21/h2-3,6-7,13H,4-5,8-11,21H2,1H3,(H,22,25).

What are the key properties of N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide?

N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).