cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C14H15N3O2S — CID 129416928

IUPACcyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1
InChIInChI=1S/C14H15N3O2S/c18-14(9-1-2-9)17-5-3-10(7-17)12-15-13(19-16-12)11-4-6-20-8-11/h4,6,8-10H,1-3,5,7H2/t10-/m1/s1
InChIKeyIZCWTOWCRWEGED-SNVBAGLBSA-N
MW289.36 g/mol
LogP2.52
Rot. Bonds3

About cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 129416928) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID129416928
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Namecyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1
InChIInChI=1S/C14H15N3O2S/c18-14(9-1-2-9)17-5-3-10(7-17)12-15-13(19-16-12)11-4-6-20-8-11/h4,6,8-10H,1-3,5,7H2/t10-/m1/s1
InChIKeyIZCWTOWCRWEGED-SNVBAGLBSA-N
XLogP2.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-oxolan-3-yl]-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417858
3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 129416855
2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119102392
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
(7-methoxy-1-benzofuran-2-yl)-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019624
[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560
(4R)-4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92896461
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
(4R)-1-(4-methylphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 99741952
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 129416928) is cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IZCWTOWCRWEGED-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(9-1-2-9)17-5-3-10(7-17)12-15-13(19-16-12)11-4-6-20-8-11/h4,6,8-10H,1-3,5,7H2/t10-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 289.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129416928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).