2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid

C15H10FNO4 — CID 13015739

IUPAC2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(-c3ccccc3F)noc2c1
InChIInChI=1S/C15H10FNO4/c16-12-4-2-1-3-10(12)15-11-6-5-9(20-8-14(18)19)7-13(11)21-17-15/h1-7H,8H2,(H,18,19)
InChIKeyNPVQJZLMMZHXRZ-UHFFFAOYSA-N
MW287.25 g/mol
LogP3.10
Rot. Bonds4

About 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid

2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid (PubChem CID 13015739) has the molecular formula C15H10FNO4 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
PubChem CID13015739
Molecular FormulaC15H10FNO4
Molecular Weight287.25 g/mol
Exact Mass287.06
IUPAC Name2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(-c3ccccc3F)noc2c1
InChIInChI=1S/C15H10FNO4/c16-12-4-2-1-3-10(12)15-11-6-5-9(20-8-14(18)19)7-13(11)21-17-15/h1-7H,8H2,(H,18,19)
InChIKeyNPVQJZLMMZHXRZ-UHFFFAOYSA-N
XLogP3.10
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The IUPAC name of 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid (CID 13015739) is 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The canonical SMILES for 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid is O=C(O)COc1ccc2c(-c3ccccc3F)noc2c1.
What is the InChIKey of 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
The InChIKey is NPVQJZLMMZHXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO4/c16-12-4-2-1-3-10(12)15-11-6-5-9(20-8-14(18)19)7-13(11)21-17-15/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid?
2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid has a molecular weight of 287.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid is sourced from PubChem (CID 13015739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).