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

C17H14ClN5O — CID 42637135

IUPAC[5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3ccccc3Cl)c3ccccc23)n1
InChIInChI=1S/C17H14ClN5O/c18-13-7-3-1-5-11(13)10-23-14-8-4-2-6-12(14)16(21-23)17-20-15(9-19)22-24-17/h1-8H,9-10,19H2
InChIKeyDJXIFBTZOYSXRI-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.25
Rot. Bonds4

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

[5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637135) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is [5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637135
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name[5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3ccccc3Cl)c3ccccc23)n1
InChIInChI=1S/C17H14ClN5O/c18-13-7-3-1-5-11(13)10-23-14-8-4-2-6-12(14)16(21-23)17-20-15(9-19)22-24-17/h1-8H,9-10,19H2
InChIKeyDJXIFBTZOYSXRI-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

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637135) is [5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2nn(Cc3ccccc3Cl)c3ccccc23)n1.
What is the InChIKey of [5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is DJXIFBTZOYSXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-13-7-3-1-5-11(13)10-23-14-8-4-2-6-12(14)16(21-23)17-20-15(9-19)22-24-17/h1-8H,9-10,19H2.
What are the key properties of [5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[(2-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-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).