methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate

C14H12N2O6 — CID 71976926

IUPACmethyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(Cn2nc(-c3ccco3)oc2=O)cc1C
InChIInChI=1S/C14H12N2O6/c1-8-6-9(21-11(8)13(17)19-2)7-16-14(18)22-12(15-16)10-4-3-5-20-10/h3-6H,7H2,1-2H3
InChIKeyGKULAMOEXQCOSL-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.83
Rot. Bonds4

About methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate

methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate (PubChem CID 71976926) has the molecular formula C14H12N2O6 and a molecular weight of 304.26 g/mol. Its IUPAC name is methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate
PubChem CID71976926
Molecular FormulaC14H12N2O6
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Namemethyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(Cn2nc(-c3ccco3)oc2=O)cc1C
InChIInChI=1S/C14H12N2O6/c1-8-6-9(21-11(8)13(17)19-2)7-16-14(18)22-12(15-16)10-4-3-5-20-10/h3-6H,7H2,1-2H3
InChIKeyGKULAMOEXQCOSL-UHFFFAOYSA-N
XLogP1.83
TPSA100.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
CID 47126529
5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 47145770
5-(furan-2-yl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 134010518
3-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126497
5-(furan-2-yl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-1,3,4-oxadiazol-2-one
CID 138052243
N-carbamoyl-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 47126523
2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile
CID 17407847
5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 111476514
N-(3,5-difluorophenyl)-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 17493986
methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate
CID 38828344
3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47449005
methyl 3-methyl-5-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 71976905

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate (CID 71976926) is methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(Cn2nc(-c3ccco3)oc2=O)cc1C.
What is the InChIKey of methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate?
The InChIKey is GKULAMOEXQCOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6/c1-8-6-9(21-11(8)13(17)19-2)7-16-14(18)22-12(15-16)10-4-3-5-20-10/h3-6H,7H2,1-2H3.
What are the key properties of methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate?
methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate has a molecular weight of 304.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 71976926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).