5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C22H22FN3O4 — CID 42840936

About 5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42840936) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42840936
• Molecular Formula: C22H22FN3O4
• Molecular Weight: 411.43 g/mol
• Exact Mass: 411.16
• IUPAC Name: 5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(F)cc3)C2C(=O)NC2CC2)c1
• InChI: InChI=1S/C22H22FN3O4/c1-13(27)24-18-4-2-3-15(11-18)20-19(21(28)25-17-9-10-17)26(22(29)30-20)12-14-5-7-16(23)8-6-14/h2-8,11,17,19-20H,9-10,12H2,1H3,(H,24,27)(H,25,28)
• InChIKey: XITSMTDGXVACJG-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.43
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42840936) is 5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(F)cc3)C2C(=O)NC2CC2)c1.

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

The InChIKey is XITSMTDGXVACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-13(27)24-18-4-2-3-15(11-18)20-19(21(28)25-17-9-10-17)26(22(29)30-20)12-14-5-7-16(23)8-6-14/h2-8,11,17,19-20H,9-10,12H2,1H3,(H,24,27)(H,25,28).

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

5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).