3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide

C23H26N4O3 — CID 92601835

About 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide

3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 92601835) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
• PubChem CID: 92601835
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
• SMILES: COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1
• InChI: InChI=1S/C23H26N4O3/c1-29-21-7-3-2-5-19(21)16-27-12-4-6-18(15-27)20-13-22(30-26-20)23(28)25-14-17-8-10-24-11-9-17/h2-3,5,7-11,13,18H,4,6,12,14-16H2,1H3,(H,25,28)/t18-/m1/s1
• InChIKey: NHMPQEIFWHGLOZ-GOSISDBHSA-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 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide (CID 92601835) is 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide is COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1.

What is the InChIKey of 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?

The InChIKey is NHMPQEIFWHGLOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-21-7-3-2-5-19(21)16-27-12-4-6-18(15-27)20-13-22(30-26-20)23(28)25-14-17-8-10-24-11-9-17/h2-3,5,7-11,13,18H,4,6,12,14-16H2,1H3,(H,25,28)/t18-/m1/s1.

What are the key properties of 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?

3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-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 3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92601835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).