2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile

C12H17N3O — CID 106525013

IUPAC2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESCC(C#N)Cc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C12H17N3O/c1-8-3-4-10(5-8)12-14-11(16-15-12)6-9(2)7-13/h8-10H,3-6H2,1-2H3
InChIKeyDHEXVUJBVIOSPB-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.68
Rot. Bonds3

About 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile

2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile (PubChem CID 106525013) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
PubChem CID106525013
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESCC(C#N)Cc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C12H17N3O/c1-8-3-4-10(5-8)12-14-11(16-15-12)6-9(2)7-13/h8-10H,3-6H2,1-2H3
InChIKeyDHEXVUJBVIOSPB-UHFFFAOYSA-N
XLogP2.68
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile
CID 106526000
3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65414274
3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65400431
3-hydroxy-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524192
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401429
3-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65402845
2-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072757
2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525813
1-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845271
N-ethyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The IUPAC name of 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile (CID 106525013) is 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The canonical SMILES for 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile is CC(C#N)Cc1nc(C2CCC(C)C2)no1.
What is the InChIKey of 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The InChIKey is DHEXVUJBVIOSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-3-4-10(5-8)12-14-11(16-15-12)6-9(2)7-13/h8-10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile has a molecular weight of 219.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile is sourced from PubChem (CID 106525013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).