2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole

C12H10N2O3 — CID 45098138

IUPAC2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3ccco3)o2)c(C)o1
InChIInChI=1S/C12H10N2O3/c1-7-6-9(8(2)16-7)11-13-14-12(17-11)10-4-3-5-15-10/h3-6H,1-2H3
InChIKeyZYDFPDRNDGWQGK-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.21
Rot. Bonds2

About 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole

2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 45098138) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID45098138
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3ccco3)o2)c(C)o1
InChIInChI=1S/C12H10N2O3/c1-7-6-9(8(2)16-7)11-13-14-12(17-11)10-4-3-5-15-10/h3-6H,1-2H3
InChIKeyZYDFPDRNDGWQGK-UHFFFAOYSA-N
XLogP3.21
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chloro-2-nitrophenyl)-2-methylfuran-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 7464926
2-(bromomethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 81222711
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136730
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylphenyl]benzamide
CID 142440259
2-(2,5-dimethylfuran-3-yl)-5-[(4-methoxyphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8908221
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone
CID 676148
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 9404976
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one
CID 135867848
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole (CID 45098138) is 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(-c3ccco3)o2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is ZYDFPDRNDGWQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-6-9(8(2)16-7)11-13-14-12(17-11)10-4-3-5-15-10/h3-6H,1-2H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 230.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 45098138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).