methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate

C10H10N2O4 — CID 112618976

IUPACmethyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(CCc2ccco2)o1
InChIInChI=1S/C10H10N2O4/c1-14-10(13)9-12-11-8(16-9)5-4-7-3-2-6-15-7/h2-3,6H,4-5H2,1H3
InChIKeyOTMCIZNICNKDAK-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.23
Rot. Bonds4

About methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate

methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112618976) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate
PubChem CID112618976
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namemethyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(CCc2ccco2)o1
InChIInChI=1S/C10H10N2O4/c1-14-10(13)9-12-11-8(16-9)5-4-7-3-2-6-15-7/h2-3,6H,4-5H2,1H3
InChIKeyOTMCIZNICNKDAK-UHFFFAOYSA-N
XLogP1.23
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate
CID 102953727
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
dimethyl 5-[3-(furan-2-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 26364910
4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
CID 104842494
methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 7585241
1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124165
methyl 5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 103210021
2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid
CID 102953949
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
methyl 2-(furan-2-ylmethylsulfanylcarbonylsulfanyl)acetate
CID 10467102
methyl 3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140392

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate (CID 112618976) is methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(CCc2ccco2)o1.
What is the InChIKey of methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is OTMCIZNICNKDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-14-10(13)9-12-11-8(16-9)5-4-7-3-2-6-15-7/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate?
methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112618976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).