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

C17H17N3O3 — CID 71686710

IUPACN-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCOc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C17H17N3O3/c1-3-22-14-9-7-13(8-10-14)18-17-19-16(20-23-17)12-5-4-6-15(11-12)21-2/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyOTNPQAXKERKOGY-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.89
Rot. Bonds6

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

N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 71686710) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID71686710
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCOc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C17H17N3O3/c1-3-22-14-9-7-13(8-10-14)18-17-19-16(20-23-17)12-5-4-6-15(11-12)21-2/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyOTNPQAXKERKOGY-UHFFFAOYSA-N
XLogP3.89
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 71686710) is N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is CCOc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is OTNPQAXKERKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-22-14-9-7-13(8-10-14)18-17-19-16(20-23-17)12-5-4-6-15(11-12)21-2/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 311.34 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71686710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).