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

C10H9ClN2O2 — CID 2577550

IUPAC5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(CCl)n1
InChIInChI=1S/C10H9ClN2O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3
InChIKeyUUSBJMCXWHXFAX-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.48
Rot. Bonds3

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

5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2577550) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID2577550
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(CCl)n1
InChIInChI=1S/C10H9ClN2O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3
InChIKeyUUSBJMCXWHXFAX-UHFFFAOYSA-N
XLogP2.48
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 2577550) is 5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is UUSBJMCXWHXFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 224.65 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2577550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).