5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole

C11H17ClN2O — CID 43513453

IUPAC5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
SMILESClCCCc1nc(C2CCCCC2)no1
InChIInChI=1S/C11H17ClN2O/c12-8-4-7-10-13-11(14-15-10)9-5-2-1-3-6-9/h9H,1-8H2
InChIKeyJNNSRNGOIGYFDB-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.29
Rot. Bonds4

About 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole

5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole (PubChem CID 43513453) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
PubChem CID43513453
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
SMILESClCCCc1nc(C2CCCCC2)no1
InChIInChI=1S/C11H17ClN2O/c12-8-4-7-10-13-11(14-15-10)9-5-2-1-3-6-9/h9H,1-8H2
InChIKeyJNNSRNGOIGYFDB-UHFFFAOYSA-N
XLogP3.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.29
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

5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 65402223
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80656600

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole (CID 43513453) is 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole is ClCCCc1nc(C2CCCCC2)no1.
What is the InChIKey of 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole?
The InChIKey is JNNSRNGOIGYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c12-8-4-7-10-13-11(14-15-10)9-5-2-1-3-6-9/h9H,1-8H2.
What are the key properties of 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole?
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole has a molecular weight of 228.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole is sourced from PubChem (CID 43513453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).