5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C20H22N4O3 — CID 73452956

IUPAC5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C2CC(c3nc(-c4ccc(C)cc4)no3)NN2)c(OC)c1
InChIInChI=1S/C20H22N4O3/c1-12-4-6-13(7-5-12)19-21-20(27-24-19)17-11-16(22-23-17)15-9-8-14(25-2)10-18(15)26-3/h4-10,16-17,22-23H,11H2,1-3H3
InChIKeyIIXUYSXDIYJWOO-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.34
Rot. Bonds5

About 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 73452956) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID73452956
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C2CC(c3nc(-c4ccc(C)cc4)no3)NN2)c(OC)c1
InChIInChI=1S/C20H22N4O3/c1-12-4-6-13(7-5-12)19-21-20(27-24-19)17-11-16(22-23-17)15-9-8-14(25-2)10-18(15)26-3/h4-10,16-17,22-23H,11H2,1-3H3
InChIKeyIIXUYSXDIYJWOO-UHFFFAOYSA-N
XLogP3.34
TPSA81.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-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-(3,5-dimethoxyphenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 74526727
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286521
5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 73221593
(3R,5R)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912169
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
(2,4-dimethoxyphenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 3356690
5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 75286524
5-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 46300189
(3R,5R)-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912131
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 75614428
3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 73452956) is 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is COc1ccc(C2CC(c3nc(-c4ccc(C)cc4)no3)NN2)c(OC)c1.
What is the InChIKey of 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IIXUYSXDIYJWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-4-6-13(7-5-12)19-21-20(27-24-19)17-11-16(22-23-17)15-9-8-14(25-2)10-18(15)26-3/h4-10,16-17,22-23H,11H2,1-3H3.
What are the key properties of 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 366.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 73452956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).