5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride

C9H13ClN2O — CID 160784996

IUPAC5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C23CCCC2C3)n1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-6-10-8(12-11-6)9-4-2-3-7(9)5-9;/h7H,2-5H2,1H3;1H
InChIKeyARKJNJWBOSQVJL-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.24
Rot. Bonds1

About 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride

5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 160784996) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride
PubChem CID160784996
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C23CCCC2C3)n1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-6-10-8(12-11-6)9-4-2-3-7(9)5-9;/h7H,2-5H2,1H3;1H
InChIKeyARKJNJWBOSQVJL-UHFFFAOYSA-N
XLogP2.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

3-(Chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole
CID 18332312
5-Cyclopentyl-3-ethyl-1,2,4-oxadiazole
CID 127300589
5-(4,4-Difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole
CID 147268369
5-(4,4-Difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole
CID 146136280
5-(4-Fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole
CID 157465612
5-(3-Fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole
CID 158320940
1-(5-Cyclohexyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955456
5-Cyclohexyl-3-methyl-1,2,4-oxadiazole
CID 17895679
3,5-Dicyclohexyl-1,2,4-oxadiazole
CID 30024018
5-Cyclohexyl-3-propan-2-yl-1,2,4-oxadiazole
CID 57867565
5-Cyclopentyl-3-propan-2-yl-1,2,4-oxadiazole
CID 57867623
5-(3-Bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole
CID 58097309

Frequently Asked Questions

What is the IUPAC name of 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride (CID 160784996) is 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride is Cc1noc(C23CCCC2C3)n1.Cl.
What is the InChIKey of 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ARKJNJWBOSQVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-6-10-8(12-11-6)9-4-2-3-7(9)5-9;/h7H,2-5H2,1H3;1H.
What are the key properties of 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 160784996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).