5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole

C10H14N2O — CID 131132193

IUPAC5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole
SMILESC=CCc1noc(C2CC2(C)C)n1
InChIInChI=1S/C10H14N2O/c1-4-5-8-11-9(13-12-8)7-6-10(7,2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyDJQOXWXFCUMLDW-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.31
Rot. Bonds3

About 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole

5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole (PubChem CID 131132193) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole
PubChem CID131132193
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole
SMILESC=CCc1noc(C2CC2(C)C)n1
InChIInChI=1S/C10H14N2O/c1-4-5-8-11-9(13-12-8)7-6-10(7,2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyDJQOXWXFCUMLDW-UHFFFAOYSA-N
XLogP2.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 130666816
3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104880039
3-prop-2-enyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 130660248
5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
CID 130611413
3-(1-chloroethyl)-5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 107002021
3-(1-chlorobutyl)-5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 107002023
cyclopropyl-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107002954
ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 107002989
5-(2,2-dimethylcyclopropyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 166141411
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 107925220
N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 107182943
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole (CID 131132193) is 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole is C=CCc1noc(C2CC2(C)C)n1.
What is the InChIKey of 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole?
The InChIKey is DJQOXWXFCUMLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-5-8-11-9(13-12-8)7-6-10(7,2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole?
5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole has a molecular weight of 178.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole is sourced from PubChem (CID 131132193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).