4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

C26H27N7O2 — CID 67154258

IUPAC4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc34)n2)cc1
InChIInChI=1S/C26H27N7O2/c1-26(2,3)19-10-8-18(9-11-19)24(34)28-16-22-29-25(35-31-22)23-20-6-4-5-7-21(20)33(30-23)15-14-32-13-12-27-17-32/h4-13,17H,14-16H2,1-3H3,(H,28,34)
InChIKeyKFDJSCPOCDMKKW-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.21
Rot. Bonds7

About 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 67154258) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID67154258
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc34)n2)cc1
InChIInChI=1S/C26H27N7O2/c1-26(2,3)19-10-8-18(9-11-19)24(34)28-16-22-29-25(35-31-22)23-20-6-4-5-7-21(20)33(30-23)15-14-32-13-12-27-17-32/h4-13,17H,14-16H2,1-3H3,(H,28,34)
InChIKeyKFDJSCPOCDMKKW-UHFFFAOYSA-N
XLogP4.21
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 67154258) is 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is KFDJSCPOCDMKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-26(2,3)19-10-8-18(9-11-19)24(34)28-16-22-29-25(35-31-22)23-20-6-4-5-7-21(20)33(30-23)15-14-32-13-12-27-17-32/h4-13,17H,14-16H2,1-3H3,(H,28,34).
What are the key properties of 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 469.55 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 67154258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).