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

C26H31N3O4 — CID 39865956

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

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 39865956) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 39865956
• Molecular Formula: C26H31N3O4
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.23
• IUPAC Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)cc1OC
• InChI: InChI=1S/C26H31N3O4/c1-18-7-9-19(10-8-18)24-16-21(28-33-24)26(30)27-17-22(29-13-5-4-6-14-29)20-11-12-23(31-2)25(15-20)32-3/h7-12,15-16,22H,4-6,13-14,17H2,1-3H3,(H,27,30)/t22-/m0/s1
• InChIKey: GJYPDJNOWRYBRB-QFIPXVFZSA-N
• XLogP: 4.62
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 39865956) is N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)cc1OC.

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

The InChIKey is GJYPDJNOWRYBRB-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18-7-9-19(10-8-18)24-16-21(28-33-24)26(30)27-17-22(29-13-5-4-6-14-29)20-11-12-23(31-2)25(15-20)32-3/h7-12,15-16,22H,4-6,13-14,17H2,1-3H3,(H,27,30)/t22-/m0/s1.

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

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39865956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).