1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

C18H27N3O5 — CID 119236501

About 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236501) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
• PubChem CID: 119236501
• Molecular Formula: C18H27N3O5
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.20
• IUPAC Name: 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
• SMILES: CCC(CC)c1cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)on1
• InChI: InChI=1S/C18H27N3O5/c1-4-12(5-2)14-10-15(26-19-14)17(23)20(3)11-16(22)21-8-6-13(7-9-21)18(24)25/h10,12-13H,4-9,11H2,1-3H3,(H,24,25)
• InChIKey: JOJRNXNHRROCBW-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 103.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (CID 119236501) is 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is CCC(CC)c1cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)on1.

What is the InChIKey of 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?

The InChIKey is JOJRNXNHRROCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-4-12(5-2)14-10-15(26-19-14)17(23)20(3)11-16(22)21-8-6-13(7-9-21)18(24)25/h10,12-13H,4-9,11H2,1-3H3,(H,24,25).

What are the key properties of 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?

1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).