2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C12H15N3O3 — CID 23008127

IUPAC2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1ccc(OC)c(-c2noc(CCN)n2)c1
InChIInChI=1S/C12H15N3O3/c1-16-8-3-4-10(17-2)9(7-8)12-14-11(5-6-13)18-15-12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyOZGMUDFRMKDRBN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.25
Rot. Bonds5

About 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 23008127) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID23008127
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1ccc(OC)c(-c2noc(CCN)n2)c1
InChIInChI=1S/C12H15N3O3/c1-16-8-3-4-10(17-2)9(7-8)12-14-11(5-6-13)18-15-12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyOZGMUDFRMKDRBN-UHFFFAOYSA-N
XLogP1.25
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17376509
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 28806166
2-[3-(3-ethyl-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96662993
2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008116
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole
CID 145064896
5-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 53331370
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
N-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20910064
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 82358645
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
[3-(2,5-dimethoxy-4-propylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117444257

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 23008127) is 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is COc1ccc(OC)c(-c2noc(CCN)n2)c1.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is OZGMUDFRMKDRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-16-8-3-4-10(17-2)9(7-8)12-14-11(5-6-13)18-15-12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 249.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 23008127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).