(4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide

C25H24FN3O5 — CID 93200806

About (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide

(4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (PubChem CID 93200806) has the molecular formula C25H24FN3O5 and a molecular weight of 465.48 g/mol. Its IUPAC name is (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93200806
• Molecular Formula: C25H24FN3O5
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.17
• IUPAC Name: (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)NC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C25H24FN3O5/c1-15(2)27-24(31)21-22(34-25(32)29(21)14-16-5-9-18(26)10-6-16)17-7-11-19(12-8-17)28-23(30)20-4-3-13-33-20/h3-13,15,21-22H,14H2,1-2H3,(H,27,31)(H,28,30)/t21-,22-/m0/s1
• InChIKey: TYULOTJAWQWRKU-VXKWHMMOSA-N
• XLogP: 4.26
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (CID 93200806) is (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is CC(C)NC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccc(F)cc1.

What is the InChIKey of (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?

The InChIKey is TYULOTJAWQWRKU-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H24FN3O5/c1-15(2)27-24(31)21-22(34-25(32)29(21)14-16-5-9-18(26)10-6-16)17-7-11-19(12-8-17)28-23(30)20-4-3-13-33-20/h3-13,15,21-22H,14H2,1-2H3,(H,27,31)(H,28,30)/t21-,22-/m0/s1.

What are the key properties of (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?

(4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-3-[(4-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93200806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).