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

C12H14N2O4 — CID 114103590

IUPAC4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCCc1occc1-c1nnc(CCCC(=O)O)o1
InChIInChI=1S/C12H14N2O4/c1-2-9-8(6-7-17-9)12-14-13-10(18-12)4-3-5-11(15)16/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyNZYLYSTXSKOFHO-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.30
Rot. Bonds6

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

4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 114103590) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID114103590
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCCc1occc1-c1nnc(CCCC(=O)O)o1
InChIInChI=1S/C12H14N2O4/c1-2-9-8(6-7-17-9)12-14-13-10(18-12)4-3-5-11(15)16/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyNZYLYSTXSKOFHO-UHFFFAOYSA-N
XLogP2.30
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 114103591
3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908048
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 113439442
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60906941
4-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930127
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114018570
4-[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55099628
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 114103590) is 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is CCc1occc1-c1nnc(CCCC(=O)O)o1.
What is the InChIKey of 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is NZYLYSTXSKOFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-9-8(6-7-17-9)12-14-13-10(18-12)4-3-5-11(15)16/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 250.25 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 114103590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).