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

C11H7F3N2O3 — CID 115081827

IUPAC2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(19-16-10)5-9(17)18/h1-4H,5H2,(H,17,18)
InChIKeyISADFIVIYBDGOK-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.38
Rot. Bonds3

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

2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 115081827) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID115081827
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(19-16-10)5-9(17)18/h1-4H,5H2,(H,17,18)
InChIKeyISADFIVIYBDGOK-UHFFFAOYSA-N
XLogP2.38
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080368
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080597
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057770
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081520
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
3-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 71239934
3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 97058040
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134630938
4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide
CID 166325517
2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid
CID 68637450

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid (CID 115081827) is 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid is O=C(O)Cc1nc(-c2ccccc2C(F)(F)F)no1.
What is the InChIKey of 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is ISADFIVIYBDGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(19-16-10)5-9(17)18/h1-4H,5H2,(H,17,18).
What are the key properties of 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 272.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 115081827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).