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

C25H29N3O2 — CID 39867354

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

5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 39867354) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 39867354
• Molecular Formula: C25H29N3O2
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.23
• IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1
• InChI: InChI=1S/C25H29N3O2/c1-17-6-9-20(10-7-17)23(28-12-4-5-13-28)16-26-25(29)22-15-24(30-27-22)21-11-8-18(2)19(3)14-21/h6-11,14-15,23H,4-5,12-13,16H2,1-3H3,(H,26,29)/t23-/m0/s1
• InChIKey: BGRSMQJUCMFLBE-QHCPKHFHSA-N
• XLogP: 4.83
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide (CID 39867354) is 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide is Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1.

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

The InChIKey is BGRSMQJUCMFLBE-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-6-9-20(10-7-17)23(28-12-4-5-13-28)16-26-25(29)22-15-24(30-27-22)21-11-8-18(2)19(3)14-21/h6-11,14-15,23H,4-5,12-13,16H2,1-3H3,(H,26,29)/t23-/m0/s1.

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

5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39867354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).