3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole

C9H7ClN2O2 — CID 60702444

IUPAC3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole
SMILESClc1ccccc1OCc1ncon1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-2-4-8(7)13-5-9-11-6-14-12-9/h1-4,6H,5H2
InChIKeyCMDOKQCGXXGMDQ-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.30
Rot. Bonds3

About 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole

3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 60702444) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole
PubChem CID60702444
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole
SMILESClc1ccccc1OCc1ncon1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-2-4-8(7)13-5-9-11-6-14-12-9/h1-4,6H,5H2
InChIKeyCMDOKQCGXXGMDQ-UHFFFAOYSA-N
XLogP2.30
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole (CID 60702444) is 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole is Clc1ccccc1OCc1ncon1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is CMDOKQCGXXGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-3-1-2-4-8(7)13-5-9-11-6-14-12-9/h1-4,6H,5H2.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole?
3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 210.62 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 60702444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).