2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

C17H21N3O3S — CID 95779275

IUPAC2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1nc([C@H]2CCCN2C(=O)C[C@H]2OCCc3ccsc32)no1
InChIInChI=1S/C17H21N3O3S/c1-2-14-18-17(19-23-14)12-4-3-7-20(12)15(21)10-13-16-11(5-8-22-13)6-9-24-16/h6,9,12-13H,2-5,7-8,10H2,1H3/t12-,13-/m1/s1
InChIKeyCVYMJGMWRZEAJV-CHWSQXEVSA-N
MW347.44 g/mol
LogP3.06
Rot. Bonds4

About 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95779275) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID95779275
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1nc([C@H]2CCCN2C(=O)C[C@H]2OCCc3ccsc32)no1
InChIInChI=1S/C17H21N3O3S/c1-2-14-18-17(19-23-14)12-4-3-7-20(12)15(21)10-13-16-11(5-8-22-13)6-9-24-16/h6,9,12-13H,2-5,7-8,10H2,1H3/t12-,13-/m1/s1
InChIKeyCVYMJGMWRZEAJV-CHWSQXEVSA-N
XLogP3.06
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95354822
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779512
1-(azepan-1-yl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanone
CID 71933570
2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95766273
(5S)-5-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 96511071
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95297046
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779278
1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95779494
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926772
[(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

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (CID 95779275) is 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is CCc1nc([C@H]2CCCN2C(=O)C[C@H]2OCCc3ccsc32)no1.
What is the InChIKey of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is CVYMJGMWRZEAJV-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-14-18-17(19-23-14)12-4-3-7-20(12)15(21)10-13-16-11(5-8-22-13)6-9-24-16/h6,9,12-13H,2-5,7-8,10H2,1H3/t12-,13-/m1/s1.
What are the key properties of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 347.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95779275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).