3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole

C18H18N2O2 — CID 46300212

IUPAC3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
SMILESCCCOc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1
InChIInChI=1S/C18H18N2O2/c1-3-11-21-16-6-4-5-15(12-16)18-19-17(20-22-18)14-9-7-13(2)8-10-14/h4-10,12H,3,11H2,1-2H3
InChIKeyBLEYRFGHAWBYII-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.50
Rot. Bonds5

About 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole

3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole (PubChem CID 46300212) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
PubChem CID46300212
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
SMILESCCCOc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1
InChIInChI=1S/C18H18N2O2/c1-3-11-21-16-6-4-5-15(12-16)18-19-17(20-22-18)14-9-7-13(2)8-10-14/h4-10,12H,3,11H2,1-2H3
InChIKeyBLEYRFGHAWBYII-UHFFFAOYSA-N
XLogP4.50
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)-5-(3-propoxyphenyl)-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

3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 112571624
5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole
CID 46043984
5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376
2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920036
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635367
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
5-(2-bromophenyl)-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 3935591
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole (CID 46300212) is 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole is CCCOc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1.
What is the InChIKey of 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BLEYRFGHAWBYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-11-21-16-6-4-5-15(12-16)18-19-17(20-22-18)14-9-7-13(2)8-10-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 294.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46300212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).