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

C10H15ClN2O — CID 43513428

IUPAC2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
SMILESClCCCc1nnc(C2CCCC2)o1
InChIInChI=1S/C10H15ClN2O/c11-7-3-6-9-12-13-10(14-9)8-4-1-2-5-8/h8H,1-7H2
InChIKeyNYTUUCBNFWZYBY-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.90
Rot. Bonds4

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

2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole (PubChem CID 43513428) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
PubChem CID43513428
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
SMILESClCCCc1nnc(C2CCCC2)o1
InChIInChI=1S/C10H15ClN2O/c11-7-3-6-9-12-13-10(14-9)8-4-1-2-5-8/h8H,1-7H2
InChIKeyNYTUUCBNFWZYBY-UHFFFAOYSA-N
XLogP2.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.90
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

2-(3-Chloropropyl)-5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazole
CID 81931206
2-(2-Chloroethyl)-5-(3,3-difluorocyclopentyl)-1,3,4-oxadiazole
CID 130487723
2-Cyclopentyl-5-methyl-1,3,4-oxadiazole
CID 53017484
2-Tert-butyl-5-cyclopentyl-1,3,4-oxadiazole
CID 89027400
2-Cyclopentyl-5-ethyl-1,3,4-oxadiazole
CID 89036721
2-Cyclopentyl-5-propan-2-yl-1,3,4-oxadiazole
CID 89981821
2-Cyclopentyl-5-propyl-1,3,4-oxadiazole
CID 126986340
2-Cyclopentyl-5-methyl-1,3,4-oxadiazole;ethane
CID 144481301
2-(Chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
2-(Chloromethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
CID 43164923
2-(Chloromethyl)-5-heptan-3-yl-1,3,4-oxadiazole
CID 43164933
2-(1-Chloroethyl)-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
CID 43513043

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole (CID 43513428) is 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole is ClCCCc1nnc(C2CCCC2)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The InChIKey is NYTUUCBNFWZYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-7-3-6-9-12-13-10(14-9)8-4-1-2-5-8/h8H,1-7H2.
What are the key properties of 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole has a molecular weight of 214.70 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole is sourced from PubChem (CID 43513428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).