3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile

C13H7N3OS — CID 113233875

IUPAC3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C13H7N3OS/c14-7-9-2-1-3-10(6-9)13-15-12(16-17-13)11-4-5-18-8-11/h1-6,8H
InChIKeyLEBBOFFJNWVSHS-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.34
Rot. Bonds2

About 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 113233875) has the molecular formula C13H7N3OS and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID113233875
Molecular FormulaC13H7N3OS
Molecular Weight253.29 g/mol
Exact Mass253.03
IUPAC Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C13H7N3OS/c14-7-9-2-1-3-10(6-9)13-15-12(16-17-13)11-4-5-18-8-11/h1-6,8H
InChIKeyLEBBOFFJNWVSHS-UHFFFAOYSA-N
XLogP3.34
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)aniline
CID 43627796
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524717
3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526038
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677191
3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106523489
2-amino-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136872227
2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63852485
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
3-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]benzonitrile
CID 156506824
3-[3-(1-imino-2,3-dihydroinden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 123450923
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 113233905

Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile (CID 113233875) is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile is N#Cc1cccc(-c2nc(-c3ccsc3)no2)c1.
What is the InChIKey of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is LEBBOFFJNWVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3OS/c14-7-9-2-1-3-10(6-9)13-15-12(16-17-13)11-4-5-18-8-11/h1-6,8H.
What are the key properties of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile has a molecular weight of 253.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 113233875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).