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

C10H7FN2O3 — CID 24878718

IUPAC2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H7FN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15)
InChIKeyRKZPSZSKHYISMB-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.50
Rot. Bonds3

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

2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 24878718) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID24878718
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H7FN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15)
InChIKeyRKZPSZSKHYISMB-UHFFFAOYSA-N
XLogP1.50
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propionic acid
CID 665968
Phenylmethyloxadiazole
CID 98806
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 667252
3-Phenyl-1,2,4-oxadiazole-5-acetic acid
CID 7017713
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic Acid
CID 7130711
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
2-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878719
2-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878721
2-[3-[(4-Bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878777
N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
CID 54770715
N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
CID 54770716
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate
CID 1472633

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 24878718) is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is RKZPSZSKHYISMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15).
What are the key properties of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 222.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 24878718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).