(2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide

C16H16N4O5S — CID 27376304

IUPAC(2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)o1
InChIInChI=1S/C16H16N4O5S/c1-26(22,23)20-8-4-6-11(20)14(21)17-16-19-18-15(25-16)13-9-10-5-2-3-7-12(10)24-13/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,19,21)/t11-/m1/s1
InChIKeyGVGFXMCUDZIOLK-LLVKDONJSA-N
MW376.39 g/mol
LogP1.85
Rot. Bonds4

About (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 27376304) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID27376304
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name(2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)o1
InChIInChI=1S/C16H16N4O5S/c1-26(22,23)20-8-4-6-11(20)14(21)17-16-19-18-15(25-16)13-9-10-5-2-3-7-12(10)24-13/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,19,21)/t11-/m1/s1
InChIKeyGVGFXMCUDZIOLK-LLVKDONJSA-N
XLogP1.85
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 40957878
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16826893
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827444
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43976842
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 40957457
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827708
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide
CID 16924114
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827677
(2R)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40859282
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 40957553
1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854859
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 27376304) is (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)o1.
What is the InChIKey of (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is GVGFXMCUDZIOLK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-26(22,23)20-8-4-6-11(20)14(21)17-16-19-18-15(25-16)13-9-10-5-2-3-7-12(10)24-13/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 27376304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).