3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine

C16H15N3O3 — CID 71582801

IUPAC3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C16H15N3O3/c1-20-13-8-6-12(7-9-13)17-16-18-15(19-22-16)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3,(H,17,18,19)
InChIKeyATYRYNIRAGNENL-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.50
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine

3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 71582801) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID71582801
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C16H15N3O3/c1-20-13-8-6-12(7-9-13)17-16-18-15(19-22-16)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3,(H,17,18,19)
InChIKeyATYRYNIRAGNENL-UHFFFAOYSA-N
XLogP3.50
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 71582801) is 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is ATYRYNIRAGNENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-13-8-6-12(7-9-13)17-16-18-15(19-22-16)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 297.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71582801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).