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

C23H21N7O3 — CID 70944813

IUPACN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1
InChIInChI=1S/C23H21N7O3/c1-32-17-6-4-5-16(13-17)22(31)25-14-20-26-23(33-28-20)21-18-7-2-3-8-19(18)27-30(21)12-11-29-10-9-24-15-29/h2-10,13,15H,11-12,14H2,1H3,(H,25,31)
InChIKeyLYEREEQOAPAYGU-UHFFFAOYSA-N
MW443.47 g/mol
LogP2.92
Rot. Bonds8

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

N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide (PubChem CID 70944813) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide
PubChem CID70944813
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1
InChIInChI=1S/C23H21N7O3/c1-32-17-6-4-5-16(13-17)22(31)25-14-20-26-23(33-28-20)21-18-7-2-3-8-19(18)27-30(21)12-11-29-10-9-24-15-29/h2-10,13,15H,11-12,14H2,1H3,(H,25,31)
InChIKeyLYEREEQOAPAYGU-UHFFFAOYSA-N
XLogP2.92
TPSA112.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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]-3-methoxybenzamide?
The IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide (CID 70944813) is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1.
What is the InChIKey of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide?
The InChIKey is LYEREEQOAPAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-32-17-6-4-5-16(13-17)22(31)25-14-20-26-23(33-28-20)21-18-7-2-3-8-19(18)27-30(21)12-11-29-10-9-24-15-29/h2-10,13,15H,11-12,14H2,1H3,(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]-3-methoxybenzamide?
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methoxybenzamide has a molecular weight of 443.47 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 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]-3-methoxybenzamide is sourced from PubChem (CID 70944813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).