N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide

C28H29FN4O5 — CID 42841402

About N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide

N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide (PubChem CID 42841402) has the molecular formula C28H29FN4O5 and a molecular weight of 520.56 g/mol. Its IUPAC name is N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide
• PubChem CID: 42841402
• Molecular Formula: C28H29FN4O5
• Molecular Weight: 520.56 g/mol
• Exact Mass: 520.21
• IUPAC Name: N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide
• SMILES: CCN1CCN(C(=O)C2C(c3ccc(NC(=O)c4ccco4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1
• InChI: InChI=1S/C28H29FN4O5/c1-2-31-12-14-32(15-13-31)27(35)24-25(38-28(36)33(24)18-19-5-3-6-21(29)17-19)20-8-10-22(11-9-20)30-26(34)23-7-4-16-37-23/h3-11,16-17,24-25H,2,12-15,18H2,1H3,(H,30,34)
• InChIKey: ASBYQEPPLUOJTI-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 95.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.56
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide (CID 42841402) is N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide is CCN1CCN(C(=O)C2C(c3ccc(NC(=O)c4ccco4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1.

What is the InChIKey of N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide?

The InChIKey is ASBYQEPPLUOJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O5/c1-2-31-12-14-32(15-13-31)27(35)24-25(38-28(36)33(24)18-19-5-3-6-21(29)17-19)20-8-10-22(11-9-20)30-26(34)23-7-4-16-37-23/h3-11,16-17,24-25H,2,12-15,18H2,1H3,(H,30,34).

What are the key properties of N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide?

N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 520.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42841402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).