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

C12H11FN2O3 — CID 82131404

IUPAC3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(CC(=O)O)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C12H11FN2O3/c1-7(6-10(16)17)11-14-15-12(18-11)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyKOVWAJXOQUAVRW-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.45
Rot. Bonds4

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

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 82131404) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID82131404
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(CC(=O)O)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C12H11FN2O3/c1-7(6-10(16)17)11-14-15-12(18-11)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyKOVWAJXOQUAVRW-UHFFFAOYSA-N
XLogP2.45
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82133202
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 16768252
(2R)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444226
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878816
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7444334
3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid
CID 82543264
4-[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 62965702
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
4-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 62965529
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7444441
4-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 55156555

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 82131404) is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid is CC(CC(=O)O)c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is KOVWAJXOQUAVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-7(6-10(16)17)11-14-15-12(18-11)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 250.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 82131404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).