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

C21H21FN6O3S — CID 11655445

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

N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11655445) has the molecular formula C21H21FN6O3S and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 11655445
• Molecular Formula: C21H21FN6O3S
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.14
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CSc1nnnn1Cc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1
• InChI: InChI=1S/C21H21FN6O3S/c1-13(29)23-10-17-12-27(21(30)31-17)16-7-8-18(19(22)9-16)15-5-3-14(4-6-15)11-28-20(32-2)24-25-26-28/h3-9,17H,10-12H2,1-2H3,(H,23,29)/t17-/m0/s1
• InChIKey: RLNDKDMCJNGTQQ-KRWDZBQOSA-N
• XLogP: 2.71
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11655445) is N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CSc1nnnn1Cc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1.

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

The InChIKey is RLNDKDMCJNGTQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21FN6O3S/c1-13(29)23-10-17-12-27(21(30)31-17)16-7-8-18(19(22)9-16)15-5-3-14(4-6-15)11-28-20(32-2)24-25-26-28/h3-9,17H,10-12H2,1-2H3,(H,23,29)/t17-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 456.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11655445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).