5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile

C12H11N3O — CID 178014522

IUPAC5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile
SMILESCC(C)c1ccc(-c2nnco2)cc1C#N
InChIInChI=1S/C12H11N3O/c1-8(2)11-4-3-9(5-10(11)6-13)12-15-14-7-16-12/h3-5,7-8H,1-2H3
InChIKeyOXGSUNHYBOLNCJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.73
Rot. Bonds2

About 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile

5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile (PubChem CID 178014522) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile.

Molecular Properties

Compound Name5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile
PubChem CID178014522
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile
SMILESCC(C)c1ccc(-c2nnco2)cc1C#N
InChIInChI=1S/C12H11N3O/c1-8(2)11-4-3-9(5-10(11)6-13)12-15-14-7-16-12/h3-5,7-8H,1-2H3
InChIKeyOXGSUNHYBOLNCJ-UHFFFAOYSA-N
XLogP2.73
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile 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

2-(bromomethyl)-5-(1,3,4-oxadiazol-2-yl)benzonitrile
CID 178014535
2-(4-bromo-3-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 171373742
2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
CID 36994323
5-amino-2-propan-2-ylbenzonitrile
CID 118986729
2-(4-bromo-3-iodophenyl)-1,3,4-oxadiazole
CID 171373723
2-chloro-4-(2-hydroxypropylamino)-3-methylbenzonitrile;ethane;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 166112085
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 142792757
5-(2-methylpropyl)-2-propan-2-ylbenzonitrile
CID 166962832
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile
CID 115743943

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile?
The IUPAC name of 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile (CID 178014522) is 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile.
What is the SMILES notation for 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile?
The canonical SMILES for 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile is CC(C)c1ccc(-c2nnco2)cc1C#N.
What is the InChIKey of 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile?
The InChIKey is OXGSUNHYBOLNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8(2)11-4-3-9(5-10(11)6-13)12-15-14-7-16-12/h3-5,7-8H,1-2H3.
What are the key properties of 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile?
5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzonitrile is sourced from PubChem (CID 178014522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).