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

C20H22N4O3 — CID 75286521

IUPAC3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CC(c4ccccc4C)NN3)n2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-12-6-4-5-7-14(12)15-11-16(23-22-15)20-21-19(24-27-20)13-8-9-17(25-2)18(10-13)26-3/h4-10,15-16,22-23H,11H2,1-3H3
InChIKeyZRIVEROPCIKQJU-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.34
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 75286521) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
PubChem CID75286521
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CC(c4ccccc4C)NN3)n2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-12-6-4-5-7-14(12)15-11-16(23-22-15)20-21-19(24-27-20)13-8-9-17(25-2)18(10-13)26-3/h4-10,15-16,22-23H,11H2,1-3H3
InChIKeyZRIVEROPCIKQJU-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

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Related Compounds

5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 75286524
5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 73452956
3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286517
3-(3,5-dimethoxyphenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 74526727
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286508
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82904694
5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 70928057
5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 73221593
3-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 20873286
(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
CID 120955679

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole (CID 75286521) is 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole is COc1ccc(-c2noc(C3CC(c4ccccc4C)NN3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZRIVEROPCIKQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-6-4-5-7-14(12)15-11-16(23-22-15)20-21-19(24-27-20)13-8-9-17(25-2)18(10-13)26-3/h4-10,15-16,22-23H,11H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-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 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75286521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).