4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide

C27H31FN4O5 — CID 68676321

About 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide

4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (PubChem CID 68676321) has the molecular formula C27H31FN4O5 and a molecular weight of 510.57 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.

Molecular Properties

• Compound Name: 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
• PubChem CID: 68676321
• Molecular Formula: C27H31FN4O5
• Molecular Weight: 510.57 g/mol
• Exact Mass: 510.23
• IUPAC Name: 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
• SMILES: CC(=O)Nc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccccc3C3CCNCC3F)C(=O)O2)cc1
• InChI: InChI=1S/C27H31FN4O5/c1-17(33)31-19-8-6-18(7-9-19)25(34)10-11-26(35)30-14-20-16-32(27(36)37-20)24-5-3-2-4-22(24)21-12-13-29-15-23(21)28/h2-9,20-21,23,29H,10-16H2,1H3,(H,30,35)(H,31,33)/t20-,21?,23?/m0/s1
• InChIKey: UNKGUTNOVQZXHW-ZJOBEGKPSA-N
• XLogP: 3.16
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.57
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?

The IUPAC name of 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (CID 68676321) is 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.

What is the SMILES notation for 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?

The canonical SMILES for 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is CC(=O)Nc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccccc3C3CCNCC3F)C(=O)O2)cc1.

What is the InChIKey of 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?

The InChIKey is UNKGUTNOVQZXHW-ZJOBEGKPSA-N. The full InChI is InChI=1S/C27H31FN4O5/c1-17(33)31-19-8-6-18(7-9-19)25(34)10-11-26(35)30-14-20-16-32(27(36)37-20)24-5-3-2-4-22(24)21-12-13-29-15-23(21)28/h2-9,20-21,23,29H,10-16H2,1H3,(H,30,35)(H,31,33)/t20-,21?,23?/m0/s1.

What are the key properties of 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?

4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide has a molecular weight of 510.57 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 68676321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).