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

C15H15N7O — CID 53239124

IUPAC[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1
InChIInChI=1S/C15H15N7O/c16-9-13-18-15(23-20-13)14-11-3-1-2-4-12(11)22(19-14)8-7-21-6-5-17-10-21/h1-6,10H,7-9,16H2
InChIKeyPDOXKWPZMKDUCC-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.44
Rot. Bonds5

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

[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 53239124) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID53239124
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1
InChIInChI=1S/C15H15N7O/c16-9-13-18-15(23-20-13)14-11-3-1-2-4-12(11)22(19-14)8-7-21-6-5-17-10-21/h1-6,10H,7-9,16H2
InChIKeyPDOXKWPZMKDUCC-UHFFFAOYSA-N
XLogP1.44
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 53239124) is [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1.
What is the InChIKey of [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is PDOXKWPZMKDUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c16-9-13-18-15(23-20-13)14-11-3-1-2-4-12(11)22(19-14)8-7-21-6-5-17-10-21/h1-6,10H,7-9,16H2.
What are the key properties of [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 309.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 53239124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).