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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Related Compounds

N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 118712638
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
CID 118712651
4-Amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 162648141
5-Methyl-3-[(3-phenylindazol-1-yl)methyl]-1,2,4-oxadiazole
CID 73504347
4-Amino-5,5-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1H-indazol-1-YL]-5,7-dihydro-6H-pyrrolo[2,3-D]pyrimidin-6-one
CID 46221905
3-(5-Methyl-1,2,4-oxadiazol-3-YL)-1-[2-(piperidin-1-YL)ethyl]-1H-indazole
CID 53041024
N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 70787947
5-Cyclopropyl-3-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71928464
1-[3-[(1,3-Dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride
CID 90678470
3-(1-Propan-2-ylindazol-3-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 171346861
5-[1-(3-Methoxypropyl)piperidin-4-yl]-3-(1-propan-2-ylindazol-3-yl)-1,2,4-oxadiazole
CID 171353243
1-(5-Ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide
CID 6624717

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).