4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

C12H14N2O4 — CID 54929342

IUPAC4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCc1cc(-c2nnc(CCCC(=O)O)o2)c(C)o1
InChIInChI=1S/C12H14N2O4/c1-7-6-9(8(2)17-7)12-14-13-10(18-12)4-3-5-11(15)16/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyDGEBNSAWTVBUCY-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.35
Rot. Bonds5

About 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 54929342) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID54929342
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCc1cc(-c2nnc(CCCC(=O)O)o2)c(C)o1
InChIInChI=1S/C12H14N2O4/c1-7-6-9(8(2)17-7)12-14-13-10(18-12)4-3-5-11(15)16/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyDGEBNSAWTVBUCY-UHFFFAOYSA-N
XLogP2.35
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070769
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
4-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 113439442
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylamino]acetic acid
CID 43465858
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114018570
4-[5-(4-chloro-2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82771499
5-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 114822230
4-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 63186939
4-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930127
4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114103590

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 54929342) is 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is Cc1cc(-c2nnc(CCCC(=O)O)o2)c(C)o1.
What is the InChIKey of 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is DGEBNSAWTVBUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-6-9(8(2)17-7)12-14-13-10(18-12)4-3-5-11(15)16/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 250.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 54929342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).