3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole

C17H15ClN2O3 — CID 868109

IUPAC3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1OCc1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C17H15ClN2O3/c1-21-14-4-2-3-5-15(14)22-11-17-19-16(20-23-17)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3
InChIKeyHCIKEHZBFBBTAP-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.90
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole

3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 868109) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID868109
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1OCc1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C17H15ClN2O3/c1-21-14-4-2-3-5-15(14)22-11-17-19-16(20-23-17)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3
InChIKeyHCIKEHZBFBBTAP-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 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole (CID 868109) is 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole is COc1ccccc1OCc1nc(Cc2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is HCIKEHZBFBBTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-21-14-4-2-3-5-15(14)22-11-17-19-16(20-23-17)10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)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 3-[(4-chlorophenyl)methyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 868109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).