N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C25H29N3O3 — CID 42272210

About N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 42272210) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
• PubChem CID: 42272210
• Molecular Formula: C25H29N3O3
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.22
• IUPAC Name: N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
• SMILES: CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCC2)cc1
• InChI: InChI=1S/C25H29N3O3/c1-2-30-21-13-11-19(12-14-21)23(28-15-7-4-8-16-28)18-26-25(29)22-17-24(31-27-22)20-9-5-3-6-10-20/h3,5-6,9-14,17,23H,2,4,7-8,15-16,18H2,1H3,(H,26,29)/t23-/m0/s1
• InChIKey: UNOJTKNOPMBUBF-QHCPKHFHSA-N
• XLogP: 4.70
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 42272210) is N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide is CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCC2)cc1.

What is the InChIKey of N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?

The InChIKey is UNOJTKNOPMBUBF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-2-30-21-13-11-19(12-14-21)23(28-15-7-4-8-16-28)18-26-25(29)22-17-24(31-27-22)20-9-5-3-6-10-20/h3,5-6,9-14,17,23H,2,4,7-8,15-16,18H2,1H3,(H,26,29)/t23-/m0/s1.

What are the key properties of N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?

N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42272210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).