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

C11H9N3O2 — CID 102660571

IUPAC4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC(O)c1noc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C11H9N3O2/c1-7(15)10-13-11(16-14-10)9-4-2-8(6-12)3-5-9/h2-5,7,15H,1H3
InChIKeyNFBGGMBRLYECQK-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.66
Rot. Bonds2

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

4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 102660571) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID102660571
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC(O)c1noc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C11H9N3O2/c1-7(15)10-13-11(16-14-10)9-4-2-8(6-12)3-5-9/h2-5,7,15H,1H3
InChIKeyNFBGGMBRLYECQK-UHFFFAOYSA-N
XLogP1.66
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526858
4-[[[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]methyl]benzonitrile
CID 96564419
4-[3-(3-hydroxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 71094219
1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660664
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704099
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526811
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527061
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 102660571) is 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile is CC(O)c1noc(-c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is NFBGGMBRLYECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-7(15)10-13-11(16-14-10)9-4-2-8(6-12)3-5-9/h2-5,7,15H,1H3.
What are the key properties of 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 215.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 102660571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).