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

C9H13ClN2O — CID 64981958

IUPAC5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
SMILESClCCCc1nc(C2CCC2)no1
InChIInChI=1S/C9H13ClN2O/c10-6-2-5-8-11-9(12-13-8)7-3-1-4-7/h7H,1-6H2
InChIKeyUHLMZAMAFZAWOI-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.51
Rot. Bonds4

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

5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole (PubChem CID 64981958) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
PubChem CID64981958
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
SMILESClCCCc1nc(C2CCC2)no1
InChIInChI=1S/C9H13ClN2O/c10-6-2-5-8-11-9(12-13-8)7-3-1-4-7/h7H,1-6H2
InChIKeyUHLMZAMAFZAWOI-UHFFFAOYSA-N
XLogP2.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.51
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-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 65402223
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-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
CID 170202003

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole (CID 64981958) is 5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole is ClCCCc1nc(C2CCC2)no1.
What is the InChIKey of 5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole?
The InChIKey is UHLMZAMAFZAWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-6-2-5-8-11-9(12-13-8)7-3-1-4-7/h7H,1-6H2.
What are the key properties of 5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole?
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole has a molecular weight of 200.67 g/mol, XLogP of 2.51, 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-cyclobutyl-1,2,4-oxadiazole is sourced from PubChem (CID 64981958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).