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

C13H12N4O — CID 47283180

IUPAC4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C13H12N4O/c14-7-9-1-5-11(6-2-9)15-8-12-16-13(17-18-12)10-3-4-10/h1-2,5-6,10,15H,3-4,8H2
InChIKeyNYUIWILHKOREKY-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.43
Rot. Bonds4

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

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile (PubChem CID 47283180) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
PubChem CID47283180
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C13H12N4O/c14-7-9-1-5-11(6-2-9)15-8-12-16-13(17-18-12)10-3-4-10/h1-2,5-6,10,15H,3-4,8H2
InChIKeyNYUIWILHKOREKY-UHFFFAOYSA-N
XLogP2.43
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 64981819
3,4-dichloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063641
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 47153889
4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 134018323
4-(azepan-1-ylsulfonyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60535047
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 65329992
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
CID 86261805
4-[(2-cyclopropyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 75440277
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
CID 47063647
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile
CID 91659594
4-[(2-cyclopropylphenyl)methylamino]benzonitrile
CID 79979257
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile (CID 47283180) is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile is N#Cc1ccc(NCc2nc(C3CC3)no2)cc1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile?
The InChIKey is NYUIWILHKOREKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-7-9-1-5-11(6-2-9)15-8-12-16-13(17-18-12)10-3-4-10/h1-2,5-6,10,15H,3-4,8H2.
What are the key properties of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile?
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile is sourced from PubChem (CID 47283180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).