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

C19H18FN7O4 — CID 72783304

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

[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate (PubChem CID 72783304) has the molecular formula C19H18FN7O4 and a molecular weight of 427.40 g/mol. Its IUPAC name is [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate.

Molecular Properties

• Compound Name: [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
• PubChem CID: 72783304
• Molecular Formula: C19H18FN7O4
• Molecular Weight: 427.40 g/mol
• Exact Mass: 427.14
• IUPAC Name: [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
• SMILES: Cn1nnc(-c2ccc(-c3ccc(N4CC(COC(=O)CN)OC4=O)cc3F)cn2)n1
• InChI: InChI=1S/C19H18FN7O4/c1-26-24-18(23-25-26)16-5-2-11(8-22-16)14-4-3-12(6-15(14)20)27-9-13(31-19(27)29)10-30-17(28)7-21/h2-6,8,13H,7,9-10,21H2,1H3
• InChIKey: AIKIAPJCJGCCSZ-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 138.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.40
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate (CID 72783304) is [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate.

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

The canonical SMILES for [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate is Cn1nnc(-c2ccc(-c3ccc(N4CC(COC(=O)CN)OC4=O)cc3F)cn2)n1.

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

The InChIKey is AIKIAPJCJGCCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O4/c1-26-24-18(23-25-26)16-5-2-11(8-22-16)14-4-3-12(6-15(14)20)27-9-13(31-19(27)29)10-30-17(28)7-21/h2-6,8,13H,7,9-10,21H2,1H3.

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

[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate has a molecular weight of 427.40 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate is sourced from PubChem (CID 72783304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).