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

C19H18N6O2 — CID 42637134

IUPACN-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc1
InChIInChI=1S/C19H18N6O2/c1-12(26)21-14-8-6-13(7-9-14)11-25-16-5-3-2-4-15(16)18(23-25)19-22-17(10-20)24-27-19/h2-9H,10-11,20H2,1H3,(H,21,26)
InChIKeyJUJBQKWYSXKUPN-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.55
Rot. Bonds5

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

N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide (PubChem CID 42637134) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide
PubChem CID42637134
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc1
InChIInChI=1S/C19H18N6O2/c1-12(26)21-14-8-6-13(7-9-14)11-25-16-5-3-2-4-15(16)18(23-25)19-22-17(10-20)24-27-19/h2-9H,10-11,20H2,1H3,(H,21,26)
InChIKeyJUJBQKWYSXKUPN-UHFFFAOYSA-N
XLogP2.55
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide (CID 42637134) is N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc1.
What is the InChIKey of N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide?
The InChIKey is JUJBQKWYSXKUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12(26)21-14-8-6-13(7-9-14)11-25-16-5-3-2-4-15(16)18(23-25)19-22-17(10-20)24-27-19/h2-9H,10-11,20H2,1H3,(H,21,26).
What are the key properties of N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 42637134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).