2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole

C21H19N3O2S — CID 124728837

IUPAC2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole
SMILESc1ccc(CN2CC[C@@H](Sc3nnc(-c4cc5ccccc5o4)o3)C2)cc1
InChIInChI=1S/C21H19N3O2S/c1-2-6-15(7-3-1)13-24-11-10-17(14-24)27-21-23-22-20(26-21)19-12-16-8-4-5-9-18(16)25-19/h1-9,12,17H,10-11,13-14H2/t17-/m1/s1
InChIKeyFLQICDBDJUFMNY-QGZVFWFLSA-N
MW377.47 g/mol
LogP4.85
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole

2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole (PubChem CID 124728837) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole
PubChem CID124728837
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole
SMILESc1ccc(CN2CC[C@@H](Sc3nnc(-c4cc5ccccc5o4)o3)C2)cc1
InChIInChI=1S/C21H19N3O2S/c1-2-6-15(7-3-1)13-24-11-10-17(14-24)27-21-23-22-20(26-21)19-12-16-8-4-5-9-18(16)25-19/h1-9,12,17H,10-11,13-14H2/t17-/m1/s1
InChIKeyFLQICDBDJUFMNY-QGZVFWFLSA-N
XLogP4.85
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile
CID 100661706
5-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pentanenitrile
CID 71917145
3-(1-benzofuran-2-yl)-6-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 97466097
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508
2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 50813288
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol
CID 45197305
1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 75419217
N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26691415
4-[[3-(5-benzyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615380
2-[4-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine
CID 25476967
CID 58171508
CID 58171508

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole (CID 124728837) is 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole is c1ccc(CN2CC[C@@H](Sc3nnc(-c4cc5ccccc5o4)o3)C2)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole?
The InChIKey is FLQICDBDJUFMNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-2-6-15(7-3-1)13-24-11-10-17(14-24)27-21-23-22-20(26-21)19-12-16-8-4-5-9-18(16)25-19/h1-9,12,17H,10-11,13-14H2/t17-/m1/s1.
What are the key properties of 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole?
2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 377.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 124728837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).