2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide

C17H25N5O3 — CID 95780185

IUPAC2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1nc(CN(C)[C@H]2CCN(CC(=O)NCc3ccco3)C2)no1
InChIInChI=1S/C17H25N5O3/c1-3-17-19-15(20-25-17)11-21(2)13-6-7-22(10-13)12-16(23)18-9-14-5-4-8-24-14/h4-5,8,13H,3,6-7,9-12H2,1-2H3,(H,18,23)/t13-/m0/s1
InChIKeyLUSCIUBUEJTIHL-ZDUSSCGKSA-N
MW347.42 g/mol
LogP1.05
Rot. Bonds8

About 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 95780185) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID95780185
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1nc(CN(C)[C@H]2CCN(CC(=O)NCc3ccco3)C2)no1
InChIInChI=1S/C17H25N5O3/c1-3-17-19-15(20-25-17)11-21(2)13-6-7-22(10-13)12-16(23)18-9-14-5-4-8-24-14/h4-5,8,13H,3,6-7,9-12H2,1-2H3,(H,18,23)/t13-/m0/s1
InChIKeyLUSCIUBUEJTIHL-ZDUSSCGKSA-N
XLogP1.05
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96512054
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
(2S)-1-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95780183
(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 97217440
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98799398
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 96512160
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984175

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 95780185) is 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide is CCc1nc(CN(C)[C@H]2CCN(CC(=O)NCc3ccco3)C2)no1.
What is the InChIKey of 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LUSCIUBUEJTIHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-3-17-19-15(20-25-17)11-21(2)13-6-7-22(10-13)12-16(23)18-9-14-5-4-8-24-14/h4-5,8,13H,3,6-7,9-12H2,1-2H3,(H,18,23)/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 95780185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).