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

C23H26FN3O4 — CID 11640497

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

N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11640497) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 11640497
• Molecular Formula: C23H26FN3O4
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.19
• IUPAC Name: N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(CO)N4CCC4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C23H26FN3O4/c1-15(29)25-12-19-13-27(23(30)31-19)18-7-8-20(21(24)11-18)16-3-5-17(6-4-16)22(14-28)26-9-2-10-26/h3-8,11,19,22,28H,2,9-10,12-14H2,1H3,(H,25,29)/t19-,22?/m0/s1
• InChIKey: ZKFBDNVWKJCDAR-YDNXMHBPSA-N
• XLogP: 2.69
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11640497) is N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(CO)N4CCC4)cc3)c(F)c2)C(=O)O1.

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

The InChIKey is ZKFBDNVWKJCDAR-YDNXMHBPSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-15(29)25-12-19-13-27(23(30)31-19)18-7-8-20(21(24)11-18)16-3-5-17(6-4-16)22(14-28)26-9-2-10-26/h3-8,11,19,22,28H,2,9-10,12-14H2,1H3,(H,25,29)/t19-,22?/m0/s1.

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

N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 427.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11640497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).