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

C11H9FN2O3 — CID 115079017

IUPAC2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(Cc2ccccc2F)n1
InChIInChI=1S/C11H9FN2O3/c12-8-4-2-1-3-7(8)5-10-13-9(14-17-10)6-11(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyJGZIAYLLDAFSEG-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.43
Rot. Bonds4

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

2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid (PubChem CID 115079017) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
PubChem CID115079017
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(Cc2ccccc2F)n1
InChIInChI=1S/C11H9FN2O3/c12-8-4-2-1-3-7(8)5-10-13-9(14-17-10)6-11(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyJGZIAYLLDAFSEG-UHFFFAOYSA-N
XLogP1.43
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079625
2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62956165
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767692
2-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079127
3-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345871
N-ethyl-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 42509166
4-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525086
1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671461
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072364
2-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078953
3-[(2-fluorophenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62312249
N-methyl-2-[5-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078988

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid (CID 115079017) is 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid is O=C(O)Cc1noc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The InChIKey is JGZIAYLLDAFSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-4-2-1-3-7(8)5-10-13-9(14-17-10)6-11(15)16/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid?
2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid has a molecular weight of 236.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 115079017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).