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

C11H8F2N2O4 — CID 61313690

IUPAC2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C11H8F2N2O4/c12-7-2-1-6(3-8(7)13)11-14-9(19-15-11)4-18-5-10(16)17/h1-3H,4-5H2,(H,16,17)
InChIKeyCAXZVGCERRHGRJ-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.62
Rot. Bonds5

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

2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 61313690) has the molecular formula C11H8F2N2O4 and a molecular weight of 270.19 g/mol. Its IUPAC name is 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID61313690
Molecular FormulaC11H8F2N2O4
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C11H8F2N2O4/c12-7-2-1-6(3-8(7)13)11-14-9(19-15-11)4-18-5-10(16)17/h1-3H,4-5H2,(H,16,17)
InChIKeyCAXZVGCERRHGRJ-UHFFFAOYSA-N
XLogP1.62
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 61313690) is 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is O=C(O)COCc1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is CAXZVGCERRHGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4/c12-7-2-1-6(3-8(7)13)11-14-9(19-15-11)4-18-5-10(16)17/h1-3H,4-5H2,(H,16,17).
What are the key properties of 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 270.19 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 61313690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).