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

C10H13N3O — CID 106525935

IUPAC2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESCC(C#N)Cc1nc(C2(C)CC2)no1
InChIInChI=1S/C10H13N3O/c1-7(6-11)5-8-12-9(13-14-8)10(2)3-4-10/h7H,3-5H2,1-2H3
InChIKeyUKSWQJGFEVAAMV-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.82
Rot. Bonds3

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

2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile (PubChem CID 106525935) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile
PubChem CID106525935
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESCC(C#N)Cc1nc(C2(C)CC2)no1
InChIInChI=1S/C10H13N3O/c1-7(6-11)5-8-12-9(13-14-8)10(2)3-4-10/h7H,3-5H2,1-2H3
InChIKeyUKSWQJGFEVAAMV-UHFFFAOYSA-N
XLogP1.82
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.82
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-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106527287
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526952
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile
CID 106523990
2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525013
2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115015955
5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 106527877
5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 118264609
2-methyl-3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106526114
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526095
3-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 136770721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The IUPAC name of 2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile (CID 106525935) is 2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The canonical SMILES for 2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile is CC(C#N)Cc1nc(C2(C)CC2)no1.
What is the InChIKey of 2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The InChIKey is UKSWQJGFEVAAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(6-11)5-8-12-9(13-14-8)10(2)3-4-10/h7H,3-5H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile?
2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile has a molecular weight of 191.23 g/mol, XLogP of 1.82, 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-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile is sourced from PubChem (CID 106525935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).