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

C18H16N6O2 — CID 42637133

IUPAC4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide
SMILESNCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc23)n1
InChIInChI=1S/C18H16N6O2/c19-9-15-21-18(26-23-15)16-13-3-1-2-4-14(13)24(22-16)10-11-5-7-12(8-6-11)17(20)25/h1-8H,9-10,19H2,(H2,20,25)
InChIKeyIHYQRYPGRLFBNX-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.69
Rot. Bonds5

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

4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide (PubChem CID 42637133) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide
PubChem CID42637133
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide
SMILESNCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc23)n1
InChIInChI=1S/C18H16N6O2/c19-9-15-21-18(26-23-15)16-13-3-1-2-4-14(13)24(22-16)10-11-5-7-12(8-6-11)17(20)25/h1-8H,9-10,19H2,(H2,20,25)
InChIKeyIHYQRYPGRLFBNX-UHFFFAOYSA-N
XLogP1.69
TPSA125.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide
CID 67154121
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162663246
US8785489, 4-{[({1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
CID 135930332
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654
1,2,4-Oxadiazole-3-methanamine, 5-[2-(phenylmethyl)-2H-indazol-3-yl]-
CID 42637004
(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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide (CID 42637133) is 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide is NCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc23)n1.
What is the InChIKey of 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide?
The InChIKey is IHYQRYPGRLFBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-9-15-21-18(26-23-15)16-13-3-1-2-4-14(13)24(22-16)10-11-5-7-12(8-6-11)17(20)25/h1-8H,9-10,19H2,(H2,20,25).
What are the key properties of 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide?
4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide has a molecular weight of 348.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]benzamide is sourced from PubChem (CID 42637133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).