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

C22H19N7O2 — CID 52920492

IUPACN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30)
InChIKeyPYIJFQHNPPKBFX-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.91
Rot. Bonds7

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

N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 52920492) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID52920492
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30)
InChIKeyPYIJFQHNPPKBFX-UHFFFAOYSA-N
XLogP2.91
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 52920492) is N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is O=C(NCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1)c1ccccc1.
What is the InChIKey of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is PYIJFQHNPPKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30).
What are the key properties of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 413.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 52920492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).