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

C14H9N3O2 — CID 106525160

IUPAC4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2nc(-c3ccoc3)no2)cc1
InChIInChI=1S/C14H9N3O2/c15-8-11-3-1-10(2-4-11)7-13-16-14(17-19-13)12-5-6-18-9-12/h1-6,9H,7H2
InChIKeyWMHVPNHOHYLQRX-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.79
Rot. Bonds3

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

4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile (PubChem CID 106525160) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
PubChem CID106525160
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2nc(-c3ccoc3)no2)cc1
InChIInChI=1S/C14H9N3O2/c15-8-11-3-1-10(2-4-11)7-13-16-14(17-19-13)12-5-6-18-9-12/h1-6,9H,7H2
InChIKeyWMHVPNHOHYLQRX-UHFFFAOYSA-N
XLogP2.79
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 104677275
4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 103816129
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]benzonitrile
CID 113233887
1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64672459
4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106527240
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 136516263
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 46392010
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106525170
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325
4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106527762

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile (CID 106525160) is 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile is N#Cc1ccc(Cc2nc(-c3ccoc3)no2)cc1.
What is the InChIKey of 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile?
The InChIKey is WMHVPNHOHYLQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c15-8-11-3-1-10(2-4-11)7-13-16-14(17-19-13)12-5-6-18-9-12/h1-6,9H,7H2.
What are the key properties of 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile?
4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile has a molecular weight of 251.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile is sourced from PubChem (CID 106525160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).