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

C17H15ClN2O3 — CID 957338

IUPAC5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C17H15ClN2O3/c1-21-14-6-4-3-5-11(14)9-16-19-17(23-20-16)13-10-12(18)7-8-15(13)22-2/h3-8,10H,9H2,1-2H3
InChIKeyDOKZRDQULVKFAG-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.00
Rot. Bonds5

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

5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 957338) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID957338
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C17H15ClN2O3/c1-21-14-6-4-3-5-11(14)9-16-19-17(23-20-16)13-10-12(18)7-8-15(13)22-2/h3-8,10H,9H2,1-2H3
InChIKeyDOKZRDQULVKFAG-UHFFFAOYSA-N
XLogP4.00
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 957338) is 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole is COc1ccccc1Cc1noc(-c2cc(Cl)ccc2OC)n1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is DOKZRDQULVKFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-21-14-6-4-3-5-11(14)9-16-19-17(23-20-16)13-10-12(18)7-8-15(13)22-2/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 330.77 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 957338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).