2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine

C17H22N6O — CID 71113030

IUPAC2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine
SMILESCc1nn(-c2noc(C3CCN(CCN)CC3)n2)c2ccccc12
InChIInChI=1S/C17H22N6O/c1-12-14-4-2-3-5-15(14)23(20-12)17-19-16(24-21-17)13-6-9-22(10-7-13)11-8-18/h2-5,13H,6-11,18H2,1H3
InChIKeyKCRTWNVBASVBRC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine

2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine (PubChem CID 71113030) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine
PubChem CID71113030
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine
SMILESCc1nn(-c2noc(C3CCN(CCN)CC3)n2)c2ccccc12
InChIInChI=1S/C17H22N6O/c1-12-14-4-2-3-5-15(14)23(20-12)17-19-16(24-21-17)13-6-9-22(10-7-13)11-8-18/h2-5,13H,6-11,18H2,1H3
InChIKeyKCRTWNVBASVBRC-UHFFFAOYSA-N
XLogP1.86
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine (CID 71113030) is 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine is Cc1nn(-c2noc(C3CCN(CCN)CC3)n2)c2ccccc12.
What is the InChIKey of 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine?
The InChIKey is KCRTWNVBASVBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-14-4-2-3-5-15(14)23(20-12)17-19-16(24-21-17)13-6-9-22(10-7-13)11-8-18/h2-5,13H,6-11,18H2,1H3.
What are the key properties of 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine?
2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine has a molecular weight of 326.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 71113030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).