[5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

C17H14ClN5O — CID 42637204

IUPAC[5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClN5O/c18-12-5-3-4-11(8-12)10-23-16(17-20-15(9-19)22-24-17)13-6-1-2-7-14(13)21-23/h1-8H,9-10,19H2
InChIKeyZGIXYZWZFRYWHE-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.25
Rot. Bonds4

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

[5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637204) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637204
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name[5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClN5O/c18-12-5-3-4-11(8-12)10-23-16(17-20-15(9-19)22-24-17)13-6-1-2-7-14(13)21-23/h1-8H,9-10,19H2
InChIKeyZGIXYZWZFRYWHE-UHFFFAOYSA-N
XLogP3.25
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine 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 [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637204) is [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)n1.
What is the InChIKey of [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ZGIXYZWZFRYWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-12-5-3-4-11(8-12)10-23-16(17-20-15(9-19)22-24-17)13-6-1-2-7-14(13)21-23/h1-8H,9-10,19H2.
What are the key properties of [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 339.79 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).