5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide

C25H25N3O3 — CID 86841160

About 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86841160) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
• PubChem CID: 86841160
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
• SMILES: Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1nc(-c2ccccc2)oc1C1CC1
• InChI: InChI=1S/C25H25N3O3/c1-16-8-7-11-19(25(30)28-14-5-6-15-28)20(16)26-23(29)21-22(17-12-13-17)31-24(27-21)18-9-3-2-4-10-18/h2-4,7-11,17H,5-6,12-15H2,1H3,(H,26,29)
• InChIKey: ZWLVFSUNIUBXOF-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 86841160) is 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1nc(-c2ccccc2)oc1C1CC1.

What is the InChIKey of 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?

The InChIKey is ZWLVFSUNIUBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-8-7-11-19(25(30)28-14-5-6-15-28)20(16)26-23(29)21-22(17-12-13-17)31-24(27-21)18-9-3-2-4-10-18/h2-4,7-11,17H,5-6,12-15H2,1H3,(H,26,29).

What are the key properties of 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?

5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86841160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).