3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline

C17H17N3O — CID 19330658

IUPAC3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
SMILESCCc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1
InChIInChI=1S/C17H17N3O/c1-3-12-7-9-13(10-8-12)17-19-16(20-21-17)14-5-4-6-15(18)11(14)2/h4-10H,3,18H2,1-2H3
InChIKeyCYZDIMSCXPMEEA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.86
Rot. Bonds3

About 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline

3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline (PubChem CID 19330658) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
PubChem CID19330658
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
SMILESCCc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1
InChIInChI=1S/C17H17N3O/c1-3-12-7-9-13(10-8-12)17-19-16(20-21-17)14-5-4-6-15(18)11(14)2/h4-10H,3,18H2,1-2H3
InChIKeyCYZDIMSCXPMEEA-UHFFFAOYSA-N
XLogP3.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline 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-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
2-methyl-3-[5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 19330608
3-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330655
2-methyl-3-[5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 19330506
2-[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 177381757
2-methyl-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 62947735
2-methyl-3-[5-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 19330487
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61325906
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The IUPAC name of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline (CID 19330658) is 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline.
What is the SMILES notation for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The canonical SMILES for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline is CCc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1.
What is the InChIKey of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The InChIKey is CYZDIMSCXPMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-12-7-9-13(10-8-12)17-19-16(20-21-17)14-5-4-6-15(18)11(14)2/h4-10H,3,18H2,1-2H3.
What are the key properties of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline has a molecular weight of 279.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline is sourced from PubChem (CID 19330658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).