(1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile

C24H19F3N6O2 — CID 11465761

IUPAC(1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1(c2c(F)cc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2F)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C24H19F3N6O2/c25-19-7-14(33-11-15(35-23(33)34)10-32-4-3-30-31-32)1-2-16(19)13-5-20(26)22(21(27)6-13)24(12-28)17-8-29-9-18(17)24/h1-7,15,17-18,29H,8-11H2/t15-,17-,18+,24?/m0/s1
InChIKeyQWFXIQVOSLOPMF-BZMDUSJDSA-N
MW480.45 g/mol
LogP3.00
Rot. Bonds5

About (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile

(1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 11465761) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name(1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID11465761
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name(1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1(c2c(F)cc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2F)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C24H19F3N6O2/c25-19-7-14(33-11-15(35-23(33)34)10-32-4-3-30-31-32)1-2-16(19)13-5-20(26)22(21(27)6-13)24(12-28)17-8-29-9-18(17)24/h1-7,15,17-18,29H,8-11H2/t15-,17-,18+,24?/m0/s1
InChIKeyQWFXIQVOSLOPMF-BZMDUSJDSA-N
XLogP3.00
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 11465761) is (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1(c2c(F)cc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2F)[C@@H]2CNC[C@@H]21.
What is the InChIKey of (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is QWFXIQVOSLOPMF-BZMDUSJDSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c25-19-7-14(33-11-15(35-23(33)34)10-32-4-3-30-31-32)1-2-16(19)13-5-20(26)22(21(27)6-13)24(12-28)17-8-29-9-18(17)24/h1-7,15,17-18,29H,8-11H2/t15-,17-,18+,24?/m0/s1.
What are the key properties of (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
(1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 480.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 11465761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).