[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

C17H15N5O — CID 42637004

IUPAC[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1
InChIInChI=1S/C17H15N5O/c18-10-15-19-17(23-21-15)16-13-8-4-5-9-14(13)20-22(16)11-12-6-2-1-3-7-12/h1-9H,10-11,18H2
InChIKeyWAKOOJIYVSJBBE-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.59
Rot. Bonds4

About [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637004) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637004
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1
InChIInChI=1S/C17H15N5O/c18-10-15-19-17(23-21-15)16-13-8-4-5-9-14(13)20-22(16)11-12-6-2-1-3-7-12/h1-9H,10-11,18H2
InChIKeyWAKOOJIYVSJBBE-UHFFFAOYSA-N
XLogP2.59
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 42637004) is [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1.
What is the InChIKey of [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is WAKOOJIYVSJBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-10-15-19-17(23-21-15)16-13-8-4-5-9-14(13)20-22(16)11-12-6-2-1-3-7-12/h1-9H,10-11,18H2.
What are the key properties of [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 305.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).