5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole

C6H7ClN2O — CID 15924311

IUPAC5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole
SMILESClCc1nc(C2CC2)no1
InChIInChI=1S/C6H7ClN2O/c7-3-5-8-6(9-10-5)4-1-2-4/h4H,1-3H2
InChIKeyYWRZTXKBYCOPMY-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.69
Rot. Bonds2

About 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole

5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 15924311) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID15924311
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole
SMILESClCc1nc(C2CC2)no1
InChIInChI=1S/C6H7ClN2O/c7-3-5-8-6(9-10-5)4-1-2-4/h4H,1-3H2
InChIKeyYWRZTXKBYCOPMY-UHFFFAOYSA-N
XLogP1.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole (CID 15924311) is 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole is ClCc1nc(C2CC2)no1.
What is the InChIKey of 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is YWRZTXKBYCOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-3-5-8-6(9-10-5)4-1-2-4/h4H,1-3H2.
What are the key properties of 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole?
5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 158.59 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 15924311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).