1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C20H16N4O2S — CID 110224561

IUPAC1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCCC1c1nnc(-c2ccccn2)o1
InChIInChI=1S/C20H16N4O2S/c25-20(14-12-27-17-9-2-1-6-13(14)17)24-11-5-8-16(24)19-23-22-18(26-19)15-7-3-4-10-21-15/h1-4,6-7,9-10,12,16H,5,8,11H2
InChIKeyWAVMFYJGQQNXAT-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.32
Rot. Bonds3

About 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110224561) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110224561
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCCC1c1nnc(-c2ccccn2)o1
InChIInChI=1S/C20H16N4O2S/c25-20(14-12-27-17-9-2-1-6-13(14)17)24-11-5-8-16(24)19-23-22-18(26-19)15-7-3-4-10-21-15/h1-4,6-7,9-10,12,16H,5,8,11H2
InChIKeyWAVMFYJGQQNXAT-UHFFFAOYSA-N
XLogP4.32
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 68614206
1-(1-benzothiophene-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036347
2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 46956799
(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92598801
(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92561751
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 124952572
3-[(2S)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carbonyl]-1,6-dimethylpyridin-2-one
CID 92555986
N'-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbonyl]pyridine-2-carbohydrazide;3,3-dimethyl-1-[(2S)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]pentane-1,2-dione
CID 157373955
3-(2-methylindol-1-yl)-1-[(2R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124998375
(5-ethylthiophen-3-yl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 155900871
(2,6-difluorophenyl)-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 10316214
[(2R)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124942362

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 110224561) is 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1csc2ccccc12)N1CCCC1c1nnc(-c2ccccn2)o1.
What is the InChIKey of 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WAVMFYJGQQNXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-20(14-12-27-17-9-2-1-6-13(14)17)24-11-5-8-16(24)19-23-22-18(26-19)15-7-3-4-10-21-15/h1-4,6-7,9-10,12,16H,5,8,11H2.
What are the key properties of 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 376.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110224561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).