2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile

C16H13FN8O2 — CID 10429088

IUPAC2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile
SMILESN#CCn1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nn1
InChIInChI=1S/C16H13FN8O2/c17-14-7-11(1-2-13(14)15-10-23(5-3-18)22-20-15)25-9-12(27-16(25)26)8-24-6-4-19-21-24/h1-2,4,6-7,10,12H,5,8-9H2/t12-/m0/s1
InChIKeyUPXFFSNMYBJESP-LBPRGKRZSA-N
MW368.33 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile

2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile (PubChem CID 10429088) has the molecular formula C16H13FN8O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile
PubChem CID10429088
Molecular FormulaC16H13FN8O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile
SMILESN#CCn1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nn1
InChIInChI=1S/C16H13FN8O2/c17-14-7-11(1-2-13(14)15-10-23(5-3-18)22-20-15)25-9-12(27-16(25)26)8-24-6-4-19-21-24/h1-2,4,6-7,10,12H,5,8-9H2/t12-/m0/s1
InChIKeyUPXFFSNMYBJESP-LBPRGKRZSA-N
XLogP1.22
TPSA114.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
AM-7359 free base
CID 9549079
(5R)-3-[3-Fluoro-4-(1H-1,2,3-triazol-4-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10245986
(5R)-3-[3-Fluoro-4-(1-methyl-1H-1,2,3-triazol-4-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10337483
(5R)-3-(3-Fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyrid-3-yl)phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10432307
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 11190371
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile
CID 11202224
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-2-ylmethyl)-1,3-oxazolidin-2-one
CID 11407523
(5R)-3-[4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25131226
(5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25131225
N-[[(5S)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44430618
(5R)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 145967767

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile (CID 10429088) is 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile is N#CCn1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nn1.
What is the InChIKey of 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile?
The InChIKey is UPXFFSNMYBJESP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H13FN8O2/c17-14-7-11(1-2-13(14)15-10-23(5-3-18)22-20-15)25-9-12(27-16(25)26)8-24-6-4-19-21-24/h1-2,4,6-7,10,12H,5,8-9H2/t12-/m0/s1.
What are the key properties of 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile?
2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile has a molecular weight of 368.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-1-yl]acetonitrile is sourced from PubChem (CID 10429088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).