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

C24H19FN4O5 — CID 11167123

IUPAC(1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C24H19FN4O5/c25-20-7-15(29-9-16(34-23(29)30)10-32-22-5-6-33-28-22)2-3-17(20)14-1-4-21(27-8-14)24(13-26)18-11-31-12-19(18)24/h1-8,16,18-19H,9-12H2/t16-,18-,19+,24?/m1/s1
InChIKeyDKGAHYSDXNYANR-LJSNHSTKSA-N
MW462.44 g/mol
LogP3.32
Rot. Bonds6

About (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-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-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 11167123) has the molecular formula C24H19FN4O5 and a molecular weight of 462.44 g/mol. Its IUPAC name is (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-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-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID11167123
Molecular FormulaC24H19FN4O5
Molecular Weight462.44 g/mol
Exact Mass462.13
IUPAC Name(1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C24H19FN4O5/c25-20-7-15(29-9-16(34-23(29)30)10-32-22-5-6-33-28-22)2-3-17(20)14-1-4-21(27-8-14)24(13-26)18-11-31-12-19(18)24/h1-8,16,18-19H,9-12H2/t16-,18-,19+,24?/m1/s1
InChIKeyDKGAHYSDXNYANR-LJSNHSTKSA-N
XLogP3.32
TPSA110.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-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-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile (CID 11167123) is (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-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-(1,2-oxazol-3-yloxymethyl)-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-(1,2-oxazol-3-yloxymethyl)-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](COc5ccon5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21.
What is the InChIKey of (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is DKGAHYSDXNYANR-LJSNHSTKSA-N. The full InChI is InChI=1S/C24H19FN4O5/c25-20-7-15(29-9-16(34-23(29)30)10-32-22-5-6-33-28-22)2-3-17(20)14-1-4-21(27-8-14)24(13-26)18-11-31-12-19(18)24/h1-8,16,18-19H,9-12H2/t16-,18-,19+,24?/m1/s1.
What are the key properties of (1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-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-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 462.44 g/mol, XLogP of 3.32, 6 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-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 11167123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).