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

C16H17FN4O4S — CID 67575331

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

N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 67575331) has the molecular formula C16H17FN4O4S and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 67575331
• Molecular Formula: C16H17FN4O4S
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.10
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3nnc([C@@H](C)O)s3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C16H17FN4O4S/c1-8(22)14-19-20-15(26-14)12-4-3-10(5-13(12)17)21-7-11(25-16(21)24)6-18-9(2)23/h3-5,8,11,22H,6-7H2,1-2H3,(H,18,23)/t8-,11+/m1/s1
• InChIKey: MWNOSYVQVNIBEX-KCJUWKMLSA-N
• XLogP: 1.86
• TPSA: 104.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 67575331) is N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3nnc([C@@H](C)O)s3)c(F)c2)C(=O)O1.

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

The InChIKey is MWNOSYVQVNIBEX-KCJUWKMLSA-N. The full InChI is InChI=1S/C16H17FN4O4S/c1-8(22)14-19-20-15(26-14)12-4-3-10(5-13(12)17)21-7-11(25-16(21)24)6-18-9(2)23/h3-5,8,11,22H,6-7H2,1-2H3,(H,18,23)/t8-,11+/m1/s1.

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

N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 67575331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).