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

C21H24N4O — CID 75286454

IUPAC3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CC(c4ccc(C(C)C)cc4)NN3)n2)c1
InChIInChI=1S/C21H24N4O/c1-13(2)15-7-9-16(10-8-15)18-12-19(24-23-18)21-22-20(25-26-21)17-6-4-5-14(3)11-17/h4-11,13,18-19,23-24H,12H2,1-3H3
InChIKeyVHNSLIPATZVZTH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.45
Rot. Bonds4

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

3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 75286454) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
PubChem CID75286454
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CC(c4ccc(C(C)C)cc4)NN3)n2)c1
InChIInChI=1S/C21H24N4O/c1-13(2)15-7-9-16(10-8-15)18-12-19(24-23-18)21-22-20(25-26-21)17-6-4-5-14(3)11-17/h4-11,13,18-19,23-24H,12H2,1-3H3
InChIKeyVHNSLIPATZVZTH-UHFFFAOYSA-N
XLogP4.45
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286461
(3R,5R)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912148
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-(3-methylphenyl)-5-[(2R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116774
5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 75975201
3-(3-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780773
5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 75975200
3-(3,5-dimethoxyphenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 74526727
5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 73452956
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
2-methyl-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 42765155

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole (CID 75286454) is 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole is Cc1cccc(-c2noc(C3CC(c4ccc(C(C)C)cc4)NN3)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is VHNSLIPATZVZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13(2)15-7-9-16(10-8-15)18-12-19(24-23-18)21-22-20(25-26-21)17-6-4-5-14(3)11-17/h4-11,13,18-19,23-24H,12H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 348.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75286454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).