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

C11H12N2O4 — CID 114822229

IUPAC4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCc1cc(-c2nnc(CCCC(=O)O)o2)co1
InChIInChI=1S/C11H12N2O4/c1-7-5-8(6-16-7)11-13-12-9(17-11)3-2-4-10(14)15/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeySBLQVHJNWHWWLA-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.05
Rot. Bonds5

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

4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 114822229) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID114822229
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCc1cc(-c2nnc(CCCC(=O)O)o2)co1
InChIInChI=1S/C11H12N2O4/c1-7-5-8(6-16-7)11-13-12-9(17-11)3-2-4-10(14)15/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeySBLQVHJNWHWWLA-UHFFFAOYSA-N
XLogP2.05
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 114822230
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
4-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55162479
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60906941
4-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 63186939
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
4-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 113439442
4-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107940452

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 114822229) is 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is Cc1cc(-c2nnc(CCCC(=O)O)o2)co1.
What is the InChIKey of 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is SBLQVHJNWHWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-7-5-8(6-16-7)11-13-12-9(17-11)3-2-4-10(14)15/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 236.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 114822229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).