5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole

C13H16N2O3 — CID 768428

IUPAC5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C13H16N2O3/c1-4-5-12-14-13(18-15-12)9-6-7-10(16-2)11(8-9)17-3/h6-8H,4-5H2,1-3H3
InChIKeyMLKCZCWHZQALPV-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.71
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole

5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole (PubChem CID 768428) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
PubChem CID768428
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C13H16N2O3/c1-4-5-12-14-13(18-15-12)9-6-7-10(16-2)11(8-9)17-3/h6-8H,4-5H2,1-3H3
InChIKeyMLKCZCWHZQALPV-UHFFFAOYSA-N
XLogP2.71
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole 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-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62342099
2-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336066
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 104704277
[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326008
3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326088
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136745795
4-[[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzoic acid
CID 135357506
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
1-[4-[[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]-2-hydroxyethanone
CID 158454122
2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79733050
ethyl 5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379413

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole (CID 768428) is 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is MLKCZCWHZQALPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-5-12-14-13(18-15-12)9-6-7-10(16-2)11(8-9)17-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole?
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 248.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 768428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).