5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C25H29N3O4 — CID 42841230

About 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841230) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841230
• Molecular Formula: C25H29N3O4
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.22
• IUPAC Name: 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NC2CC2)c1
• InChI: InChI=1S/C25H29N3O4/c1-3-5-21(29)26-20-7-4-6-18(14-20)23-22(24(30)27-19-12-13-19)28(25(31)32-23)15-17-10-8-16(2)9-11-17/h4,6-11,14,19,22-23H,3,5,12-13,15H2,1-2H3,(H,26,29)(H,27,30)
• InChIKey: SLARVJBQNHJZAH-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.52
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841230) is 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NC2CC2)c1.

What is the InChIKey of 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is SLARVJBQNHJZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-5-21(29)26-20-7-4-6-18(14-20)23-22(24(30)27-19-12-13-19)28(25(31)32-23)15-17-10-8-16(2)9-11-17/h4,6-11,14,19,22-23H,3,5,12-13,15H2,1-2H3,(H,26,29)(H,27,30).

What are the key properties of 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).