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

C11H17ClN2OS — CID 65141260

IUPAC5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole
SMILESClCCCc1nc(CSC2CCCC2)no1
InChIInChI=1S/C11H17ClN2OS/c12-7-3-6-11-13-10(14-15-11)8-16-9-4-1-2-5-9/h9H,1-8H2
InChIKeyVSIIGFJQPCGPQG-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.42
Rot. Bonds6

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

5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 65141260) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID65141260
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole
SMILESClCCCc1nc(CSC2CCCC2)no1
InChIInChI=1S/C11H17ClN2OS/c12-7-3-6-11-13-10(14-15-11)8-16-9-4-1-2-5-9/h9H,1-8H2
InChIKeyVSIIGFJQPCGPQG-UHFFFAOYSA-N
XLogP3.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65139161
[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65141214
5-(azetidin-3-ylmethyl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
CID 65139664
5-(3-chloropropyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134539
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448
N-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65140557
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 65140245
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
2-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482965
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 65144227
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 65261429
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole (CID 65141260) is 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole is ClCCCc1nc(CSC2CCCC2)no1.
What is the InChIKey of 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is VSIIGFJQPCGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c12-7-3-6-11-13-10(14-15-11)8-16-9-4-1-2-5-9/h9H,1-8H2.
What are the key properties of 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole?
5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 260.79 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65141260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).