1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone

C17H15N3O3 — CID 20952694

IUPAC1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
SMILESCOc1ccc(-c2noc(Nc3cccc(C(C)=O)c3)n2)cc1
InChIInChI=1S/C17H15N3O3/c1-11(21)13-4-3-5-14(10-13)18-17-19-16(20-23-17)12-6-8-15(22-2)9-7-12/h3-10H,1-2H3,(H,18,19,20)
InChIKeyQPXURAITFVOGDO-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.69
Rot. Bonds5

About 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone

1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone (PubChem CID 20952694) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
PubChem CID20952694
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
SMILESCOc1ccc(-c2noc(Nc3cccc(C(C)=O)c3)n2)cc1
InChIInChI=1S/C17H15N3O3/c1-11(21)13-4-3-5-14(10-13)18-17-19-16(20-23-17)12-6-8-15(22-2)9-7-12/h3-10H,1-2H3,(H,18,19,20)
InChIKeyQPXURAITFVOGDO-UHFFFAOYSA-N
XLogP3.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone 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

ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472
1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone
CID 53054493
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904896
N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686701
3-(4-methoxyphenyl)-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 20881484
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
1-[3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]ethanone
CID 51225071
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone (CID 20952694) is 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone is COc1ccc(-c2noc(Nc3cccc(C(C)=O)c3)n2)cc1.
What is the InChIKey of 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone?
The InChIKey is QPXURAITFVOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(21)13-4-3-5-14(10-13)18-17-19-16(20-23-17)12-6-8-15(22-2)9-7-12/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone?
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone has a molecular weight of 309.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone is sourced from PubChem (CID 20952694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).