[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

C11H11N3O3 — CID 167925736

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(-c2ccco2)o1)N1CCCC1
InChIInChI=1S/C11H11N3O3/c15-11(14-5-1-2-6-14)10-13-12-9(17-10)8-4-3-7-16-8/h3-4,7H,1-2,5-6H2
InChIKeyTVMFBSQZIDGNDO-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.57
Rot. Bonds2

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 167925736) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID167925736
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(-c2ccco2)o1)N1CCCC1
InChIInChI=1S/C11H11N3O3/c15-11(14-5-1-2-6-14)10-13-12-9(17-10)8-4-3-7-16-8/h3-4,7H,1-2,5-6H2
InChIKeyTVMFBSQZIDGNDO-UHFFFAOYSA-N
XLogP1.57
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 110392413
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 110391856
azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 46393407
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 37084291
(4-fluorophenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 36875761
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone
CID 53081315
5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
CID 17407849
4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 134085846

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone (CID 167925736) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1nnc(-c2ccco2)o1)N1CCCC1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TVMFBSQZIDGNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-11(14-5-1-2-6-14)10-13-12-9(17-10)8-4-3-7-16-8/h3-4,7H,1-2,5-6H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 233.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 167925736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).