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

C18H19N3O3 — CID 20910080

IUPAC3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(Nc2nc(-c3cc(OC)ccc3OC)no2)cc1
InChIInChI=1S/C18H19N3O3/c1-4-12-5-7-13(8-6-12)19-18-20-17(21-24-18)15-11-14(22-2)9-10-16(15)23-3/h5-11H,4H2,1-3H3,(H,19,20,21)
InChIKeyYWTLDJGPVBFEIU-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.06
Rot. Bonds6

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

3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20910080) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20910080
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(Nc2nc(-c3cc(OC)ccc3OC)no2)cc1
InChIInChI=1S/C18H19N3O3/c1-4-12-5-7-13(8-6-12)19-18-20-17(21-24-18)15-11-14(22-2)9-10-16(15)23-3/h5-11H,4H2,1-3H3,(H,19,20,21)
InChIKeyYWTLDJGPVBFEIU-UHFFFAOYSA-N
XLogP4.06
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 666363
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 53299059
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
3-(2,3-dimethoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 71686708
N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686710
2-(4-methoxyphenyl)-N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 3238986
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20910067

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine (CID 20910080) is 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine is CCc1ccc(Nc2nc(-c3cc(OC)ccc3OC)no2)cc1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is YWTLDJGPVBFEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-12-5-7-13(8-6-12)19-18-20-17(21-24-18)15-11-14(22-2)9-10-16(15)23-3/h5-11H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine?
3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 325.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20910080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).