(1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile

C24H21FN6O3 — CID 91459908

About (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile

(1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 91459908) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

• Compound Name: (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
• PubChem CID: 91459908
• Molecular Formula: C24H21FN6O3
• Molecular Weight: 460.47 g/mol
• Exact Mass: 460.17
• IUPAC Name: (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
• SMILES: N#CC1(c2ccc(-c3ccc(N4C[C@@H](CNc5ccon5)OC4=O)cc3F)cn2)[C@@H]2CNC[C@@H]21
• InChI: InChI=1S/C24H21FN6O3/c25-20-7-15(31-12-16(34-23(31)32)9-29-22-5-6-33-30-22)2-3-17(20)14-1-4-21(28-8-14)24(13-26)18-10-27-11-19(18)24/h1-8,16,18-19,27H,9-12H2,(H,29,30)/t16-,18-,19+,24?/m1/s1
• InChIKey: ZTHSDNDSUOFYMJ-LJSNHSTKSA-N
• XLogP: 2.92
• TPSA: 116.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.47
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?

The IUPAC name of (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 91459908) is (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

What is the SMILES notation for (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?

The canonical SMILES for (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1(c2ccc(-c3ccc(N4C[C@@H](CNc5ccon5)OC4=O)cc3F)cn2)[C@@H]2CNC[C@@H]21.

What is the InChIKey of (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?

The InChIKey is ZTHSDNDSUOFYMJ-LJSNHSTKSA-N. The full InChI is InChI=1S/C24H21FN6O3/c25-20-7-15(31-12-16(34-23(31)32)9-29-22-5-6-33-30-22)2-3-17(20)14-1-4-21(28-8-14)24(13-26)18-10-27-11-19(18)24/h1-8,16,18-19,27H,9-12H2,(H,29,30)/t16-,18-,19+,24?/m1/s1.

What are the key properties of (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?

(1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 460.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-6-[5-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 91459908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).