(7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C20H17N3O4S — CID 121019624

IUPAC(7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCC(c4noc(-c5ccsc5)n4)C3)oc12
InChIInChI=1S/C20H17N3O4S/c1-25-15-4-2-3-12-9-16(26-17(12)15)20(24)23-7-5-13(10-23)18-21-19(27-22-18)14-6-8-28-11-14/h2-4,6,8-9,11,13H,5,7,10H2,1H3
InChIKeyRXAQWYMTMMWVPH-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.18
Rot. Bonds4

About (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 121019624) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID121019624
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name(7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCC(c4noc(-c5ccsc5)n4)C3)oc12
InChIInChI=1S/C20H17N3O4S/c1-25-15-4-2-3-12-9-16(26-17(12)15)20(24)23-7-5-13(10-23)18-21-19(27-22-18)14-6-8-28-11-14/h2-4,6,8-9,11,13H,5,7,10H2,1H3
InChIKeyRXAQWYMTMMWVPH-UHFFFAOYSA-N
XLogP4.18
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-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

cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129416928
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
8-methoxy-3-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 129416514
[(3R)-oxolan-3-yl]-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417858
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119102392
(7-methoxy-1-benzofuran-2-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 86264913
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 99986548
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126892491

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 121019624) is (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is COc1cccc2cc(C(=O)N3CCC(c4noc(-c5ccsc5)n4)C3)oc12.
What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RXAQWYMTMMWVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-25-15-4-2-3-12-9-16(26-17(12)15)20(24)23-7-5-13(10-23)18-21-19(27-22-18)14-6-8-28-11-14/h2-4,6,8-9,11,13H,5,7,10H2,1H3.
What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121019624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).