5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

C23H24N4O — CID 2742608

IUPAC5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3cc(C(C)(C)C)nn3Cc3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O/c1-16-10-12-18(13-11-16)21-24-22(28-26-21)19-14-20(23(2,3)4)25-27(19)15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3
InChIKeyRWDCIZAQYURXOQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.25
Rot. Bonds4

About 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2742608) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID2742608
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3cc(C(C)(C)C)nn3Cc3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O/c1-16-10-12-18(13-11-16)21-24-22(28-26-21)19-14-20(23(2,3)4)25-27(19)15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3
InChIKeyRWDCIZAQYURXOQ-UHFFFAOYSA-N
XLogP5.25
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 2742608) is 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3cc(C(C)(C)C)nn3Cc3ccccc3)n2)cc1.
What is the InChIKey of 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is RWDCIZAQYURXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-10-12-18(13-11-16)21-24-22(28-26-21)19-14-20(23(2,3)4)25-27(19)15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3.
What are the key properties of 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 372.47 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).