3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole

C10H15ClN2O — CID 102661074

IUPAC3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(C2(C)CCCC2)n1
InChIInChI=1S/C10H15ClN2O/c1-7(11)8-12-9(14-13-8)10(2)5-3-4-6-10/h7H,3-6H2,1-2H3
InChIKeyJBTCGJQHJZFRQU-UHFFFAOYSA-N
MW214.70 g/mol
LogP3.20
Rot. Bonds2

About 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole

3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole (PubChem CID 102661074) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
PubChem CID102661074
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(C2(C)CCCC2)n1
InChIInChI=1S/C10H15ClN2O/c1-7(11)8-12-9(14-13-8)10(2)5-3-4-6-10/h7H,3-6H2,1-2H3
InChIKeyJBTCGJQHJZFRQU-UHFFFAOYSA-N
XLogP3.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745
2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 131154498
1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634646
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106828772
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 61292338
3-(1-chloroethyl)-5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 107002021
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 106828749
3-(1-ethoxy-2,2-dimethylpropyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116704241
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116703045
1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116702753

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole (CID 102661074) is 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole is CC(Cl)c1noc(C2(C)CCCC2)n1.
What is the InChIKey of 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole?
The InChIKey is JBTCGJQHJZFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(11)8-12-9(14-13-8)10(2)5-3-4-6-10/h7H,3-6H2,1-2H3.
What are the key properties of 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole?
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole has a molecular weight of 214.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102661074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).