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

C17H17N3O3 — CID 71686708

IUPAC3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(Nc3ccc(C)cc3)n2)c1OC
InChIInChI=1S/C17H17N3O3/c1-11-7-9-12(10-8-11)18-17-19-16(20-23-17)13-5-4-6-14(21-2)15(13)22-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyILCZROCNAGYQPE-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.81
Rot. Bonds5

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

3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 71686708) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID71686708
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(Nc3ccc(C)cc3)n2)c1OC
InChIInChI=1S/C17H17N3O3/c1-11-7-9-12(10-8-11)18-17-19-16(20-23-17)13-5-4-6-14(21-2)15(13)22-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyILCZROCNAGYQPE-UHFFFAOYSA-N
XLogP3.81
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 15987630
4-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1-(4-methylphenyl)piperazine
CID 16021715
N-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)amine
CID 20910080
N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 20952666
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 53299059
N-(1,3-benzodioxol-5-yl)-N-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amine
CID 53299061
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582800
3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582801
N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686710
1-(4-Methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 16031476
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665621
3-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 20910062

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 71686708) is 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(Nc3ccc(C)cc3)n2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is ILCZROCNAGYQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-7-9-12(10-8-11)18-17-19-16(20-23-17)13-5-4-6-14(21-2)15(13)22-3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 311.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71686708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).