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

C12H11FN2O3 — CID 39352729

IUPAC4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H11FN2O3/c13-9-6-4-8(5-7-9)12-15-14-10(18-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17)
InChIKeyDOOBNPRETRGQBF-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.28
Rot. Bonds5

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

4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 39352729) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID39352729
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H11FN2O3/c13-9-6-4-8(5-7-9)12-15-14-10(18-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17)
InChIKeyDOOBNPRETRGQBF-UHFFFAOYSA-N
XLogP2.28
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55162479
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-(3-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929793
5-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 107953342
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60906941
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(4-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 81296148
3-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929197

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 39352729) is 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid is O=C(O)CCCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is DOOBNPRETRGQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-9-6-4-8(5-7-9)12-15-14-10(18-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17).
What are the key properties of 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 250.23 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 39352729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).