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

C17H17N3O2 — CID 71686709

IUPACN-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C17H17N3O2/c1-3-12-7-9-14(10-8-12)18-17-19-16(20-22-17)13-5-4-6-15(11-13)21-2/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyUHRADRDZXRUMQE-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.05
Rot. Bonds5

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

N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 71686709) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID71686709
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C17H17N3O2/c1-3-12-7-9-14(10-8-12)18-17-19-16(20-22-17)13-5-4-6-15(11-13)21-2/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyUHRADRDZXRUMQE-UHFFFAOYSA-N
XLogP4.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 71686709) is N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is CCc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is UHRADRDZXRUMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-12-7-9-14(10-8-12)18-17-19-16(20-22-17)13-5-4-6-15(11-13)21-2/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 295.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71686709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).