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

C22H17FN6O3 — CID 70973615

IUPAC(1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(N4CC(n5ccnn5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C22H17FN6O3/c23-18-7-14(28-9-20(32-21(28)30)29-6-5-26-27-29)2-3-15(18)13-1-4-19(25-8-13)22(12-24)16-10-31-11-17(16)22/h1-8,16-17,20H,9-11H2/t16-,17+,20?,22?
InChIKeyPHRYHDYCYNMODF-DCEJCQMCSA-N
MW432.42 g/mol
LogP2.67
Rot. Bonds4

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

(1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 70973615) has the molecular formula C22H17FN6O3 and a molecular weight of 432.42 g/mol. Its IUPAC name is (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name(1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID70973615
Molecular FormulaC22H17FN6O3
Molecular Weight432.42 g/mol
Exact Mass432.13
IUPAC Name(1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(N4CC(n5ccnn5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C22H17FN6O3/c23-18-7-14(28-9-20(32-21(28)30)29-6-5-26-27-29)2-3-15(18)13-1-4-19(25-8-13)22(12-24)16-10-31-11-17(16)22/h1-8,16-17,20H,9-11H2/t16-,17+,20?,22?
InChIKeyPHRYHDYCYNMODF-DCEJCQMCSA-N
XLogP2.67
TPSA106.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-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 (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile (CID 70973615) is (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1(c2ccc(-c3ccc(N4CC(n5ccnn5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21.
What is the InChIKey of (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is PHRYHDYCYNMODF-DCEJCQMCSA-N. The full InChI is InChI=1S/C22H17FN6O3/c23-18-7-14(28-9-20(32-21(28)30)29-6-5-26-27-29)2-3-15(18)13-1-4-19(25-8-13)22(12-24)16-10-31-11-17(16)22/h1-8,16-17,20H,9-11H2/t16-,17+,20?,22?.
What are the key properties of (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile?
(1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 432.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-yl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 70973615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).