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

C11H7F3N2O4 — CID 79749471

IUPAC2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C11H7F3N2O4/c12-6-2-1-5(9(13)10(6)14)11-16-15-7(20-11)3-19-4-8(17)18/h1-2H,3-4H2,(H,17,18)
InChIKeyOOWXHLMFIPGJEI-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.76
Rot. Bonds5

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

2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 79749471) has the molecular formula C11H7F3N2O4 and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID79749471
Molecular FormulaC11H7F3N2O4
Molecular Weight288.18 g/mol
Exact Mass288.04
IUPAC Name2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C11H7F3N2O4/c12-6-2-1-5(9(13)10(6)14)11-16-15-7(20-11)3-19-4-8(17)18/h1-2H,3-4H2,(H,17,18)
InChIKeyOOWXHLMFIPGJEI-UHFFFAOYSA-N
XLogP1.76
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 79749471) is 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is O=C(O)COCc1nnc(-c2ccc(F)c(F)c2F)o1.
What is the InChIKey of 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is OOWXHLMFIPGJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O4/c12-6-2-1-5(9(13)10(6)14)11-16-15-7(20-11)3-19-4-8(17)18/h1-2H,3-4H2,(H,17,18).
What are the key properties of 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 288.18 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 79749471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).