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

C10H10N2O4 — CID 60906941

IUPAC4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccoc2)o1
InChIInChI=1S/C10H10N2O4/c13-9(14)3-1-2-8-11-12-10(16-8)7-4-5-15-6-7/h4-6H,1-3H2,(H,13,14)
InChIKeyQBSZIUGXGNXAMD-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.74
Rot. Bonds5

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

4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 60906941) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID60906941
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccoc2)o1
InChIInChI=1S/C10H10N2O4/c13-9(14)3-1-2-8-11-12-10(16-8)7-4-5-15-6-7/h4-6H,1-3H2,(H,13,14)
InChIKeyQBSZIUGXGNXAMD-UHFFFAOYSA-N
XLogP1.74
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 63186939
4-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107940452
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
4-[5-(3-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929793
5-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 114822230
4-[5-(4-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 81296148
4-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55162479

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 60906941) is 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is O=C(O)CCCc1nnc(-c2ccoc2)o1.
What is the InChIKey of 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is QBSZIUGXGNXAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-9(14)3-1-2-8-11-12-10(16-8)7-4-5-15-6-7/h4-6H,1-3H2,(H,13,14).
What are the key properties of 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 222.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 60906941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).