5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one

C11H12N2O4 — CID 71900988

IUPAC5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccco2)nn1CC1CCCO1
InChIInChI=1S/C11H12N2O4/c14-11-13(7-8-3-1-5-15-8)12-10(17-11)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2
InChIKeyFFUSLBCCEVMLSV-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.28
Rot. Bonds3

About 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one

5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one (PubChem CID 71900988) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one
PubChem CID71900988
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccco2)nn1CC1CCCO1
InChIInChI=1S/C11H12N2O4/c14-11-13(7-8-3-1-5-15-8)12-10(17-11)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2
InChIKeyFFUSLBCCEVMLSV-UHFFFAOYSA-N
XLogP1.28
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 42921245
5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
CID 17407849
3-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126497
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 51111099
3-(furan-2-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 17285058
2-[[5-(furan-2-yl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 1155131
5-(furan-2-yl)-3-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3,4-oxadiazol-2-one
CID 94065426
5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 111476514
3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47449005
3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazole
CID 19724032
2-[[5-(furan-2-yl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 6551098

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one (CID 71900988) is 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccco2)nn1CC1CCCO1.
What is the InChIKey of 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is FFUSLBCCEVMLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-11-13(7-8-3-1-5-15-8)12-10(17-11)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2.
What are the key properties of 5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one?
5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 236.23 g/mol, XLogP of 1.28, 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-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 71900988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).