4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide

C23H31N5O2 — CID 46086359

IUPAC4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1
InChIInChI=1S/C23H31N5O2/c1-7-16(8-2)14-24-21(29)17-9-11-18(12-10-17)28-20(23(4,5)6)13-19(27-28)22-26-25-15(3)30-22/h9-13,16H,7-8,14H2,1-6H3,(H,24,29)
InChIKeyKXHKAGXEAVBOJZ-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.69
Rot. Bonds7

About 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide

4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide (PubChem CID 46086359) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide.

Molecular Properties

Compound Name4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide
PubChem CID46086359
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1
InChIInChI=1S/C23H31N5O2/c1-7-16(8-2)14-24-21(29)17-9-11-18(12-10-17)28-20(23(4,5)6)13-19(27-28)22-26-25-15(3)30-22/h9-13,16H,7-8,14H2,1-6H3,(H,24,29)
InChIKeyKXHKAGXEAVBOJZ-UHFFFAOYSA-N
XLogP4.69
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide?
The IUPAC name of 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide (CID 46086359) is 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide.
What is the SMILES notation for 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide?
The canonical SMILES for 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide is CCC(CC)CNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1.
What is the InChIKey of 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide?
The InChIKey is KXHKAGXEAVBOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-7-16(8-2)14-24-21(29)17-9-11-18(12-10-17)28-20(23(4,5)6)13-19(27-28)22-26-25-15(3)30-22/h9-13,16H,7-8,14H2,1-6H3,(H,24,29).
What are the key properties of 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide?
4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-ethylbutyl)benzamide is sourced from PubChem (CID 46086359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).