2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile

C13H11N3O — CID 106523633

IUPAC2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(Cc2ccccc2)no1
InChIInChI=1S/C13H11N3O/c14-8-10-7-11(10)13-15-12(16-17-13)6-9-4-2-1-3-5-9/h1-5,10-11H,6-7H2
InChIKeyOCQZVCDMQVDPRF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile

2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile (PubChem CID 106523633) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
PubChem CID106523633
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(Cc2ccccc2)no1
InChIInChI=1S/C13H11N3O/c14-8-10-7-11(10)13-15-12(16-17-13)6-9-4-2-1-3-5-9/h1-5,10-11H,6-7H2
InChIKeyOCQZVCDMQVDPRF-UHFFFAOYSA-N
XLogP2.29
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525840
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524565
4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 55201043
2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525348
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524414
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524281
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 136770990
2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523988
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743251
2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523670
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 62550871
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 60791718

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile (CID 106523633) is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile is N#CC1CC1c1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile?
The InChIKey is OCQZVCDMQVDPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-10-7-11(10)13-15-12(16-17-13)6-9-4-2-1-3-5-9/h1-5,10-11H,6-7H2.
What are the key properties of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile?
2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 106523633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).