2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C17H24N4O2S — CID 98772070

IUPAC2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCCc1nc([C@H]2CCCN2CC(=O)N(C)[C@H](C)c2cccs2)no1
InChIInChI=1S/C17H24N4O2S/c1-4-15-18-17(19-23-15)13-7-5-9-21(13)11-16(22)20(3)12(2)14-8-6-10-24-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3/t12-,13-/m1/s1
InChIKeyLBGFQFTVNDGUHH-CHWSQXEVSA-N
MW348.47 g/mol
LogP3.05
Rot. Bonds6

About 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 98772070) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID98772070
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCCc1nc([C@H]2CCCN2CC(=O)N(C)[C@H](C)c2cccs2)no1
InChIInChI=1S/C17H24N4O2S/c1-4-15-18-17(19-23-15)13-7-5-9-21(13)11-16(22)20(3)12(2)14-8-6-10-24-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3/t12-,13-/m1/s1
InChIKeyLBGFQFTVNDGUHH-CHWSQXEVSA-N
XLogP3.05
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 56790668
N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 95781197
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11928190
1-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 95766259
(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95766764
N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 146124066
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779278
2-[[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136726881
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779273
N-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95763147
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 98772070) is 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is CCc1nc([C@H]2CCCN2CC(=O)N(C)[C@H](C)c2cccs2)no1.
What is the InChIKey of 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is LBGFQFTVNDGUHH-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-15-18-17(19-23-15)13-7-5-9-21(13)11-16(22)20(3)12(2)14-8-6-10-24-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 98772070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).