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

C20H26N6O2 — CID 50962042

IUPAC2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine
SMILESCOCCc1noc(C2CCCCN2c2nc(CCN)nc3ccccc23)n1
InChIInChI=1S/C20H26N6O2/c1-27-13-10-18-24-20(28-25-18)16-8-4-5-12-26(16)19-14-6-2-3-7-15(14)22-17(23-19)9-11-21/h2-3,6-7,16H,4-5,8-13,21H2,1H3
InChIKeyRHAGVNGMJCSVFX-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.43
Rot. Bonds7

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

2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine (PubChem CID 50962042) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine
PubChem CID50962042
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine
SMILESCOCCc1noc(C2CCCCN2c2nc(CCN)nc3ccccc23)n1
InChIInChI=1S/C20H26N6O2/c1-27-13-10-18-24-20(28-25-18)16-8-4-5-12-26(16)19-14-6-2-3-7-15(14)22-17(23-19)9-11-21/h2-3,6-7,16H,4-5,8-13,21H2,1H3
InChIKeyRHAGVNGMJCSVFX-UHFFFAOYSA-N
XLogP2.43
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine with MolForge

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Related Compounds

2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine
CID 95130438
(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 95729521
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 134700016
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138807069
1-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 50970693
[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110670
cyclopentyl-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920788
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine?
The IUPAC name of 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine (CID 50962042) is 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine?
The canonical SMILES for 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine is COCCc1noc(C2CCCCN2c2nc(CCN)nc3ccccc23)n1.
What is the InChIKey of 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine?
The InChIKey is RHAGVNGMJCSVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-27-13-10-18-24-20(28-25-18)16-8-4-5-12-26(16)19-14-6-2-3-7-15(14)22-17(23-19)9-11-21/h2-3,6-7,16H,4-5,8-13,21H2,1H3.
What are the key properties of 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine?
2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine has a molecular weight of 382.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine is sourced from PubChem (CID 50962042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).