(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one

C19H19FN8O3 — CID 166910275

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

(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 166910275) has the molecular formula C19H19FN8O3 and a molecular weight of 426.41 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one
• PubChem CID: 166910275
• Molecular Formula: C19H19FN8O3
• Molecular Weight: 426.41 g/mol
• Exact Mass: 426.16
• IUPAC Name: (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one
• SMILES: Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNCCN=O)OC4=O)cc3F)cn2)n1
• InChI: InChI=1S/C19H19FN8O3/c1-27-25-18(24-26-27)17-5-2-12(9-22-17)15-4-3-13(8-16(15)20)28-11-14(31-19(28)29)10-21-6-7-23-30/h2-5,8-9,14,21H,6-7,10-11H2,1H3/t14-/m0/s1
• InChIKey: DVDSTVOZFJVAPE-AWEZNQCLSA-N
• XLogP: 1.76
• TPSA: 127.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.41
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one (CID 166910275) is (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNCCN=O)OC4=O)cc3F)cn2)n1.

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

The InChIKey is DVDSTVOZFJVAPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19FN8O3/c1-27-25-18(24-26-27)17-5-2-12(9-22-17)15-4-3-13(8-16(15)20)28-11-14(31-19(28)29)10-21-6-7-23-30/h2-5,8-9,14,21H,6-7,10-11H2,1H3/t14-/m0/s1.

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

(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 426.41 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166910275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).