(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one

C16H14FN5O3 — CID 70202099

About (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one

(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 70202099) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
• PubChem CID: 70202099
• Molecular Formula: C16H14FN5O3
• Molecular Weight: 343.32 g/mol
• Exact Mass: 343.11
• IUPAC Name: (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ncc[nH]2)c(F)c1
• InChI: InChI=1S/C16H14FN5O3/c17-13-7-10(1-2-12(13)15-18-4-5-19-15)22-9-11(25-16(22)23)8-20-14-3-6-24-21-14/h1-7,11H,8-9H2,(H,18,19)(H,20,21)/t11-/m0/s1
• InChIKey: KUTQKSYAWOTFTA-NSHDSACASA-N
• XLogP: 2.64
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.32
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one (CID 70202099) is (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ncc[nH]2)c(F)c1.

What is the InChIKey of (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?

The InChIKey is KUTQKSYAWOTFTA-NSHDSACASA-N. The full InChI is InChI=1S/C16H14FN5O3/c17-13-7-10(1-2-12(13)15-18-4-5-19-15)22-9-11(25-16(22)23)8-20-14-3-6-24-21-14/h1-7,11H,8-9H2,(H,18,19)(H,20,21)/t11-/m0/s1.

What are the key properties of (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?

(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 343.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70202099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).