[5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

C16H15N5OS — CID 67154106

IUPAC[5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2CCc2cccs2)n1
InChIInChI=1S/C16H15N5OS/c17-10-14-18-16(22-20-14)15-12-5-1-2-6-13(12)19-21(15)8-7-11-4-3-9-23-11/h1-6,9H,7-8,10,17H2
InChIKeyNVTGZTMTDRJJJP-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.85
Rot. Bonds5

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

[5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 67154106) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID67154106
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name[5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2CCc2cccs2)n1
InChIInChI=1S/C16H15N5OS/c17-10-14-18-16(22-20-14)15-12-5-1-2-6-13(12)19-21(15)8-7-11-4-3-9-23-11/h1-6,9H,7-8,10,17H2
InChIKeyNVTGZTMTDRJJJP-UHFFFAOYSA-N
XLogP2.85
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 67154106) is [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2c3ccccc3nn2CCc2cccs2)n1.
What is the InChIKey of [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is NVTGZTMTDRJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c17-10-14-18-16(22-20-14)15-12-5-1-2-6-13(12)19-21(15)8-7-11-4-3-9-23-11/h1-6,9H,7-8,10,17H2.
What are the key properties of [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 325.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 67154106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).