N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

C23H26N4O3 — CID 110229025

About N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 110229025) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 110229025
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cc(C3CCCN(Cc4cccnc4)C3)no2)c1
• InChI: InChI=1S/C23H26N4O3/c1-29-20-8-2-5-17(11-20)14-25-23(28)22-12-21(26-30-22)19-7-4-10-27(16-19)15-18-6-3-9-24-13-18/h2-3,5-6,8-9,11-13,19H,4,7,10,14-16H2,1H3,(H,25,28)
• InChIKey: ALTMLUWURLRLNJ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 110229025) is N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is COc1cccc(CNC(=O)c2cc(C3CCCN(Cc4cccnc4)C3)no2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is ALTMLUWURLRLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-8-2-5-17(11-20)14-25-23(28)22-12-21(26-30-22)19-7-4-10-27(16-19)15-18-6-3-9-24-13-18/h2-3,5-6,8-9,11-13,19H,4,7,10,14-16H2,1H3,(H,25,28).

What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?

N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110229025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).