N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide

C19H19FN4O5 — CID 134140897

About N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 134140897) has the molecular formula C19H19FN4O5 and a molecular weight of 402.38 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 134140897
• Molecular Formula: C19H19FN4O5
• Molecular Weight: 402.38 g/mol
• Exact Mass: 402.13
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
• SMILES: O=C(NC[C@H]1CN(c2ccc(N3CC4(COC4)C3)c(F)c2)C(=O)O1)c1ccno1
• InChI: InChI=1S/C19H19FN4O5/c20-14-5-12(1-2-15(14)23-8-19(9-23)10-27-11-19)24-7-13(28-18(24)26)6-21-17(25)16-3-4-22-29-16/h1-5,13H,6-11H2,(H,21,25)/t13-/m0/s1
• InChIKey: XOVFMGBGDWJUOL-ZDUSSCGKSA-N
• XLogP: 1.41
• TPSA: 97.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.38
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide (CID 134140897) is N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CC4(COC4)C3)c(F)c2)C(=O)O1)c1ccno1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide?

The InChIKey is XOVFMGBGDWJUOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN4O5/c20-14-5-12(1-2-15(14)23-8-19(9-23)10-27-11-19)24-7-13(28-18(24)26)6-21-17(25)16-3-4-22-29-16/h1-5,13H,6-11H2,(H,21,25)/t13-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide?

N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 402.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134140897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).