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

C17H17N3O4 — CID 53299059

IUPAC3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3cccc(OC)c3OC)no2)cc1
InChIInChI=1S/C17H17N3O4/c1-21-12-9-7-11(8-10-12)18-17-19-16(20-24-17)13-5-4-6-14(22-2)15(13)23-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyBZOJRHMDXDGMQB-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.51
Rot. Bonds6

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

3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 53299059) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID53299059
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3cccc(OC)c3OC)no2)cc1
InChIInChI=1S/C17H17N3O4/c1-21-12-9-7-11(8-10-12)18-17-19-16(20-24-17)13-5-4-6-14(22-2)15(13)23-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyBZOJRHMDXDGMQB-UHFFFAOYSA-N
XLogP3.51
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 53299059) is 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(Nc2nc(-c3cccc(OC)c3OC)no2)cc1.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is BZOJRHMDXDGMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-21-12-9-7-11(8-10-12)18-17-19-16(20-24-17)13-5-4-6-14(22-2)15(13)23-3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 327.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 53299059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).