2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C19H23N5O3 — CID 45231992

IUPAC2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCOCCc1noc(C2CCCN(C(=O)Cc3[nH]nc4ccccc34)C2)n1
InChIInChI=1S/C19H23N5O3/c1-26-10-8-17-20-19(27-23-17)13-5-4-9-24(12-13)18(25)11-16-14-6-2-3-7-15(14)21-22-16/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,21,22)
InChIKeyQSTIMYHMZYWWCR-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.08
Rot. Bonds6

About 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 45231992) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID45231992
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCOCCc1noc(C2CCCN(C(=O)Cc3[nH]nc4ccccc34)C2)n1
InChIInChI=1S/C19H23N5O3/c1-26-10-8-17-20-19(27-23-17)13-5-4-9-24(12-13)18(25)11-16-14-6-2-3-7-15(14)21-22-16/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,21,22)
InChIKeyQSTIMYHMZYWWCR-UHFFFAOYSA-N
XLogP2.08
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70778696
[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131948357
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 97017462
1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745
2-(2H-indazol-3-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 47803990
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 95737187
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 71801323
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 91925427
5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124749327

Frequently Asked Questions

What is the IUPAC name of 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 45231992) is 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is COCCc1noc(C2CCCN(C(=O)Cc3[nH]nc4ccccc34)C2)n1.
What is the InChIKey of 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is QSTIMYHMZYWWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-26-10-8-17-20-19(27-23-17)13-5-4-9-24(12-13)18(25)11-16-14-6-2-3-7-15(14)21-22-16/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,21,22).
What are the key properties of 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 369.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 45231992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).