2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid

C9H7NO4 — CID 737119

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C9H7NO4/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h1-4H,5H2,(H,11,12)
InChIKeyPHIUXGVYFVAGTC-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.68
Rot. Bonds2

About 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid

2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid (PubChem CID 737119) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid
PubChem CID737119
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C9H7NO4/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h1-4H,5H2,(H,11,12)
InChIKeyPHIUXGVYFVAGTC-UHFFFAOYSA-N
XLogP0.68
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid (CID 737119) is 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid is O=C(O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The InChIKey is PHIUXGVYFVAGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h1-4H,5H2,(H,11,12).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid?
2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid has a molecular weight of 193.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid is sourced from PubChem (CID 737119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).