N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H28FN3O3S — CID 58045382

About N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045382) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 58045382
• Molecular Formula: C26H28FN3O3S
• Molecular Weight: 481.59 g/mol
• Exact Mass: 481.18
• IUPAC Name: N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4sc(C)nc4C)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H28FN3O3S/c1-16-25(34-18(3)29-16)6-4-5-19-7-9-20(10-8-19)23-12-11-21(13-24(23)27)30-15-22(33-26(30)32)14-28-17(2)31/h7-13,22H,4-6,14-15H2,1-3H3,(H,28,31)/t22-/m0/s1
• InChIKey: JKBRIWMCUXUUSA-QFIPXVFZSA-N
• XLogP: 5.20
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.59
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045382) is N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4sc(C)nc4C)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is JKBRIWMCUXUUSA-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-16-25(34-18(3)29-16)6-4-5-19-7-9-20(10-8-19)23-12-11-21(13-24(23)27)30-15-22(33-26(30)32)14-28-17(2)31/h7-13,22H,4-6,14-15H2,1-3H3,(H,28,31)/t22-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 481.59 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).