5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one

C13H15N3O4 — CID 17407849

IUPAC5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccco2)oc1=O)N1CCCCC1
InChIInChI=1S/C13H15N3O4/c17-11(15-6-2-1-3-7-15)9-16-13(18)20-12(14-16)10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2
InChIKeyNMJZRAQDCZRPDT-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.11
Rot. Bonds3

About 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one

5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one (PubChem CID 17407849) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
PubChem CID17407849
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccco2)oc1=O)N1CCCCC1
InChIInChI=1S/C13H15N3O4/c17-11(15-6-2-1-3-7-15)9-16-13(18)20-12(14-16)10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2
InChIKeyNMJZRAQDCZRPDT-UHFFFAOYSA-N
XLogP1.11
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 47126523
5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 51111099
2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
CID 47126529
[2-(azocan-1-yl)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632865
N-(3,5-difluorophenyl)-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 17493986
5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 71900988
3-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126497
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 94510114
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 167925736
5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one
CID 75446474
5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 111476514
5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 71898564

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one (CID 17407849) is 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccco2)oc1=O)N1CCCCC1.
What is the InChIKey of 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is NMJZRAQDCZRPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-11(15-6-2-1-3-7-15)9-16-13(18)20-12(14-16)10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one?
5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 277.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 17407849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).