[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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Related Compounds

1,2,4-Oxadiazole-3-methanamine, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-
CID 22239024
3-[3-tert-Butoxycarbonylaminomethyl-1,2,4-oxadiazol-5-yl]indazole
CID 42637980
[5-[2-(2-Thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 67154106
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654
(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637062
(5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637065
(5-(1-Phenethyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637282
(5-(2-Phenethyl-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637355
(5-(1H-Indazol-1-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637357
tert-butyl N-[[5-[1-[(2,3,5-trifluorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637500
Tert-butyl(5-(1-(3-methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methylcarbamate
CID 42637982

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).