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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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).