4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile

C11H9N3O2 — CID 106526858

IUPAC4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(CCO)no2)cc1
InChIInChI=1S/C11H9N3O2/c12-7-8-1-3-9(4-2-8)11-13-10(5-6-15)14-16-11/h1-4,15H,5-6H2
InChIKeyGDBXQWATRUACAE-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.14
Rot. Bonds3

About 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile

4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 106526858) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID106526858
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(CCO)no2)cc1
InChIInChI=1S/C11H9N3O2/c12-7-8-1-3-9(4-2-8)11-13-10(5-6-15)14-16-11/h1-4,15H,5-6H2
InChIKeyGDBXQWATRUACAE-UHFFFAOYSA-N
XLogP1.14
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704099
5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 106526842
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676807
4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 102660571
4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104656732
5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706952
4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 56703730
4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 70967303
4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527456
2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115078694
3-methoxy-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31434194

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 106526858) is 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1ccc(-c2nc(CCO)no2)cc1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is GDBXQWATRUACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-7-8-1-3-9(4-2-8)11-13-10(5-6-15)14-16-11/h1-4,15H,5-6H2.
What are the key properties of 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 215.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 106526858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).