[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone

C17H22N4O4 — CID 95779392

IUPAC[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone
SMILESCCc1nc([C@@H]2CCCN2C(=O)c2ccc(OCCOC)nc2)no1
InChIInChI=1S/C17H22N4O4/c1-3-14-19-16(20-25-14)13-5-4-8-21(13)17(22)12-6-7-15(18-11-12)24-10-9-23-2/h6-7,11,13H,3-5,8-10H2,1-2H3/t13-/m0/s1
InChIKeyZHBZBPJJOBKDRC-ZDUSSCGKSA-N
MW346.39 g/mol
LogP2.03
Rot. Bonds7

About [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone

[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone (PubChem CID 95779392) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone
PubChem CID95779392
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone
SMILESCCc1nc([C@@H]2CCCN2C(=O)c2ccc(OCCOC)nc2)no1
InChIInChI=1S/C17H22N4O4/c1-3-14-19-16(20-25-14)13-5-4-8-21(13)17(22)12-6-7-15(18-11-12)24-10-9-23-2/h6-7,11,13H,3-5,8-10H2,1-2H3/t13-/m0/s1
InChIKeyZHBZBPJJOBKDRC-ZDUSSCGKSA-N
XLogP2.03
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyridin-2-one
CID 95779287
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814
[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91920672
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95779324
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
(5S)-5-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 96511071
(7-chloro-1,3-benzodioxol-5-yl)-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779437
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779273
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,5-a]pyridin-1-yl)methanone
CID 95779824
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779278
[6-(dimethylamino)-3-pyridinyl]-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345379

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone?
The IUPAC name of [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone (CID 95779392) is [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone is CCc1nc([C@@H]2CCCN2C(=O)c2ccc(OCCOC)nc2)no1.
What is the InChIKey of [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone?
The InChIKey is ZHBZBPJJOBKDRC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-3-14-19-16(20-25-14)13-5-4-8-21(13)17(22)12-6-7-15(18-11-12)24-10-9-23-2/h6-7,11,13H,3-5,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone?
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone has a molecular weight of 346.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 95779392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).