3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole

C12H14N2O2 — CID 20669011

IUPAC3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C(C)C)n2)cc1
InChIInChI=1S/C12H14N2O2/c1-8(2)12-13-11(14-16-12)9-4-6-10(15-3)7-5-9/h4-8H,1-3H3
InChIKeyRPHWHAAKAKHRIY-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.87
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 20669011) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID20669011
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C(C)C)n2)cc1
InChIInChI=1S/C12H14N2O2/c1-8(2)12-13-11(14-16-12)9-4-6-10(15-3)7-5-9/h4-8H,1-3H3
InChIKeyRPHWHAAKAKHRIY-UHFFFAOYSA-N
XLogP2.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-5-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole (CID 20669011) is 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole is COc1ccc(-c2noc(C(C)C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RPHWHAAKAKHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)12-13-11(14-16-12)9-4-6-10(15-3)7-5-9/h4-8H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 20669011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).