5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole

C17H15ClN2O3 — CID 699769

IUPAC5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN2O3/c1-21-14-6-2-12(3-7-14)10-16-19-17(23-20-16)11-22-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3
InChIKeyOQISIHAJCWICIR-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.90
Rot. Bonds6

About 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole

5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 699769) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID699769
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN2O3/c1-21-14-6-2-12(3-7-14)10-16-19-17(23-20-16)11-22-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3
InChIKeyOQISIHAJCWICIR-UHFFFAOYSA-N
XLogP3.90
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 699769) is 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole is COc1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is OQISIHAJCWICIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-21-14-6-2-12(3-7-14)10-16-19-17(23-20-16)11-22-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 330.77 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 699769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).