4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile

C17H19N3O — CID 106524958

IUPAC4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
SMILESCCC1CCC(c2noc(-c3ccc(C#N)cc3C)n2)C1
InChIInChI=1S/C17H19N3O/c1-3-12-4-6-14(9-12)16-19-17(21-20-16)15-7-5-13(10-18)8-11(15)2/h5,7-8,12,14H,3-4,6,9H2,1-2H3
InChIKeyFUFLEGPWKOGECI-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.21
Rot. Bonds3

About 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile

4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile (PubChem CID 106524958) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
PubChem CID106524958
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
SMILESCCC1CCC(c2noc(-c3ccc(C#N)cc3C)n2)C1
InChIInChI=1S/C17H19N3O/c1-3-12-4-6-14(9-12)16-19-17(21-20-16)15-7-5-13(10-18)8-11(15)2/h5,7-8,12,14H,3-4,6,9H2,1-2H3
InChIKeyFUFLEGPWKOGECI-UHFFFAOYSA-N
XLogP4.21
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751161
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 65413071
4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65412866
5-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 65412668
4-bromo-2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885773
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770740
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylbenzonitrile
CID 103827449
2-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902
2-[2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65412676
3-methyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104693249
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 65414294

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile?
The IUPAC name of 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile (CID 106524958) is 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile?
The canonical SMILES for 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile is CCC1CCC(c2noc(-c3ccc(C#N)cc3C)n2)C1.
What is the InChIKey of 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile?
The InChIKey is FUFLEGPWKOGECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-12-4-6-14(9-12)16-19-17(21-20-16)15-7-5-13(10-18)8-11(15)2/h5,7-8,12,14H,3-4,6,9H2,1-2H3.
What are the key properties of 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile?
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile has a molecular weight of 281.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile is sourced from PubChem (CID 106524958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).