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

C23H18F2N6O3 — CID 11259807

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

(1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 11259807) has the molecular formula C23H18F2N6O3 and a molecular weight of 464.43 g/mol. Its IUPAC name is (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

• Compound Name: (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
• PubChem CID: 11259807
• Molecular Formula: C23H18F2N6O3
• Molecular Weight: 464.43 g/mol
• Exact Mass: 464.14
• IUPAC Name: (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
• SMILES: N#CC1(c2ccc(-c3ccc(N4C[C@H](Cn5cc(F)nn5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21
• InChI: InChI=1S/C23H18F2N6O3/c24-19-5-14(31-8-15(34-22(31)32)7-30-9-21(25)28-29-30)2-3-16(19)13-1-4-20(27-6-13)23(12-26)17-10-33-11-18(17)23/h1-6,9,15,17-18H,7-8,10-11H2/t15-,17-,18+,23?/m0/s1
• InChIKey: NYKIMADYDUIYBY-LMTQJTDPSA-N
• XLogP: 2.68
• TPSA: 106.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.43
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile (CID 11259807) is (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile.

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

The canonical SMILES for (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1(c2ccc(-c3ccc(N4C[C@H](Cn5cc(F)nn5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21.

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

The InChIKey is NYKIMADYDUIYBY-LMTQJTDPSA-N. The full InChI is InChI=1S/C23H18F2N6O3/c24-19-5-14(31-8-15(34-22(31)32)7-30-9-21(25)28-29-30)2-3-16(19)13-1-4-20(27-6-13)23(12-26)17-10-33-11-18(17)23/h1-6,9,15,17-18H,7-8,10-11H2/t15-,17-,18+,23?/m0/s1.

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

(1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 464.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 11259807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).