2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid

C15H8ClF2NO4 — CID 13015758

IUPAC2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(-c3ccc(F)cc3F)noc2c1Cl
InChIInChI=1S/C15H8ClF2NO4/c16-13-11(22-6-12(20)21)4-3-9-14(19-23-15(9)13)8-2-1-7(17)5-10(8)18/h1-5H,6H2,(H,20,21)
InChIKeyRRYIVQMASQDBBH-UHFFFAOYSA-N
MW339.68 g/mol
LogP3.89
Rot. Bonds4

About 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid

2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid (PubChem CID 13015758) has the molecular formula C15H8ClF2NO4 and a molecular weight of 339.68 g/mol. Its IUPAC name is 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
PubChem CID13015758
Molecular FormulaC15H8ClF2NO4
Molecular Weight339.68 g/mol
Exact Mass339.01
IUPAC Name2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(-c3ccc(F)cc3F)noc2c1Cl
InChIInChI=1S/C15H8ClF2NO4/c16-13-11(22-6-12(20)21)4-3-9-14(19-23-15(9)13)8-2-1-7(17)5-10(8)18/h1-5H,6H2,(H,20,21)
InChIKeyRRYIVQMASQDBBH-UHFFFAOYSA-N
XLogP3.89
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.68
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The IUPAC name of 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid (CID 13015758) is 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The canonical SMILES for 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid is O=C(O)COc1ccc2c(-c3ccc(F)cc3F)noc2c1Cl.
What is the InChIKey of 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The InChIKey is RRYIVQMASQDBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO4/c16-13-11(22-6-12(20)21)4-3-9-14(19-23-15(9)13)8-2-1-7(17)5-10(8)18/h1-5H,6H2,(H,20,21).
What are the key properties of 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid has a molecular weight of 339.68 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-chloro-3-(2,4-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid is sourced from PubChem (CID 13015758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).