(2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

C19H18FN7O3 — CID 174461396

About (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

(2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (PubChem CID 174461396) has the molecular formula C19H18FN7O3 and a molecular weight of 411.40 g/mol. Its IUPAC name is (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
• PubChem CID: 174461396
• Molecular Formula: C19H18FN7O3
• Molecular Weight: 411.40 g/mol
• Exact Mass: 411.15
• IUPAC Name: (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
• SMILES: C[C@H](C(N)=O)C1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C19H18FN7O3/c1-10(17(21)28)16-9-27(19(29)30-16)12-4-5-13(14(20)7-12)11-3-6-15(22-8-11)18-23-25-26(2)24-18/h3-8,10,16H,9H2,1-2H3,(H2,21,28)/t10-,16?/m0/s1
• InChIKey: FPQQOKJKUDIPTD-VQVVDHBBSA-N
• XLogP: 1.52
• TPSA: 129.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.40
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The IUPAC name of (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (CID 174461396) is (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

What is the SMILES notation for (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The canonical SMILES for (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is C[C@H](C(N)=O)C1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.

What is the InChIKey of (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The InChIKey is FPQQOKJKUDIPTD-VQVVDHBBSA-N. The full InChI is InChI=1S/C19H18FN7O3/c1-10(17(21)28)16-9-27(19(29)30-16)12-4-5-13(14(20)7-12)11-3-6-15(22-8-11)18-23-25-26(2)24-18/h3-8,10,16H,9H2,1-2H3,(H2,21,28)/t10-,16?/m0/s1.

What are the key properties of (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

(2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 411.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 174461396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).