5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole

C8H12N2O — CID 131086308

IUPAC5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCC2CC2)n1
InChIInChI=1S/C8H12N2O/c1-6-9-8(11-10-6)5-4-7-2-3-7/h7H,2-5H2,1H3
InChIKeyDRJDAKYGXMALIK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.72
Rot. Bonds3

About 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole

5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 131086308) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
PubChem CID131086308
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCC2CC2)n1
InChIInChI=1S/C8H12N2O/c1-6-9-8(11-10-6)5-4-7-2-3-7/h7H,2-5H2,1H3
InChIKeyDRJDAKYGXMALIK-UHFFFAOYSA-N
XLogP1.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336068
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
CID 130670162
[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660427
5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106421375
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844783
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole (CID 131086308) is 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(CCC2CC2)n1.
What is the InChIKey of 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is DRJDAKYGXMALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-9-8(11-10-6)5-4-7-2-3-7/h7H,2-5H2,1H3.
What are the key properties of 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole?
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 152.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 131086308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).