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

C23H21N7O2 — CID 90670954

IUPACN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1
InChIInChI=1S/C23H21N7O2/c1-16-6-2-3-7-17(16)22(31)25-14-20-26-23(32-28-20)21-18-8-4-5-9-19(18)27-30(21)13-12-29-11-10-24-15-29/h2-11,15H,12-14H2,1H3,(H,25,31)
InChIKeyDFENMUWCXRDFKQ-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.22
Rot. Bonds7

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

N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide (PubChem CID 90670954) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide
PubChem CID90670954
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1
InChIInChI=1S/C23H21N7O2/c1-16-6-2-3-7-17(16)22(31)25-14-20-26-23(32-28-20)21-18-8-4-5-9-19(18)27-30(21)13-12-29-11-10-24-15-29/h2-11,15H,12-14H2,1H3,(H,25,31)
InChIKeyDFENMUWCXRDFKQ-UHFFFAOYSA-N
XLogP3.22
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

[5-[5-fluoro-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 53239126
[5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 67154304
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide (CID 90670954) is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1.
What is the InChIKey of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide?
The InChIKey is DFENMUWCXRDFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-16-6-2-3-7-17(16)22(31)25-14-20-26-23(32-28-20)21-18-8-4-5-9-19(18)27-30(21)13-12-29-11-10-24-15-29/h2-11,15H,12-14H2,1H3,(H,25,31).
What are the key properties of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide?
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide has a molecular weight of 427.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 90670954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).