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

C11H10N4O — CID 106398876

IUPAC3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
SMILESN#Cc1cccc(NCCc2ncno2)c1
InChIInChI=1S/C11H10N4O/c12-7-9-2-1-3-10(6-9)13-5-4-11-14-8-15-16-11/h1-3,6,8,13H,4-5H2
InChIKeyYVZNCGDVXPBFTA-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.60
Rot. Bonds4

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

3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile (PubChem CID 106398876) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
PubChem CID106398876
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
SMILESN#Cc1cccc(NCCc2ncno2)c1
InChIInChI=1S/C11H10N4O/c12-7-9-2-1-3-10(6-9)13-5-4-11-14-8-15-16-11/h1-3,6,8,13H,4-5H2
InChIKeyYVZNCGDVXPBFTA-UHFFFAOYSA-N
XLogP1.60
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 104858349
2-[2-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]phenyl]acetonitrile
CID 114183089
4-methoxy-3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106399512
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744384
3-(4-aminobutylamino)benzonitrile
CID 94253346
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744302
2-fluoro-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoic acid
CID 114185307
3-(2,2-difluoroethylamino)benzonitrile
CID 60922387
3-(pent-4-ynylamino)benzonitrile
CID 115871888
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106405558
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyridin-5-amine
CID 106403750

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile?
The IUPAC name of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile (CID 106398876) is 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile.
What is the SMILES notation for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile?
The canonical SMILES for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile is N#Cc1cccc(NCCc2ncno2)c1.
What is the InChIKey of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile?
The InChIKey is YVZNCGDVXPBFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-7-9-2-1-3-10(6-9)13-5-4-11-14-8-15-16-11/h1-3,6,8,13H,4-5H2.
What are the key properties of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile?
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile is sourced from PubChem (CID 106398876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).