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

C14H17N3O2S — CID 92586495

IUPAC1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1
InChIInChI=1S/C14H17N3O2S/c1-2-4-12(18)17-7-3-5-11(17)14-16-15-13(19-14)10-6-8-20-9-10/h6,8-9,11H,2-5,7H2,1H3/t11-/m1/s1
InChIKeyGAXUXOQHTBXOON-LLVKDONJSA-N
MW291.38 g/mol
LogP3.26
Rot. Bonds4

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

1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 92586495) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID92586495
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1
InChIInChI=1S/C14H17N3O2S/c1-2-4-12(18)17-7-3-5-11(17)14-16-15-13(19-14)10-6-8-20-9-10/h6,8-9,11H,2-5,7H2,1H3/t11-/m1/s1
InChIKeyGAXUXOQHTBXOON-LLVKDONJSA-N
XLogP3.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92552698
3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92568899
3-[2-oxo-2-[2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 110217553
ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
CID 121116782
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
(4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 92571691
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 110217557
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969
2-(4-ethoxyphenoxy)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121114636
2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 95849941
[(2R)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125023784
3-[2-oxo-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]quinazolin-4-one
CID 121114554

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one (CID 92586495) is 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1.
What is the InChIKey of 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is GAXUXOQHTBXOON-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-4-12(18)17-7-3-5-11(17)14-16-15-13(19-14)10-6-8-20-9-10/h6,8-9,11H,2-5,7H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one?
1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 291.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 92586495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).