2-(1,2-benzoxazol-7-yloxy)acetic acid

C9H7NO4 — CID 84664453

IUPAC2-(1,2-benzoxazol-7-yloxy)acetic acid
SMILESO=C(O)COc1cccc2cnoc12
InChIInChI=1S/C9H7NO4/c11-8(12)5-13-7-3-1-2-6-4-10-14-9(6)7/h1-4H,5H2,(H,11,12)
InChIKeyYHLXUSVAEQLSNZ-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.29
Rot. Bonds3

About 2-(1,2-benzoxazol-7-yloxy)acetic acid

2-(1,2-benzoxazol-7-yloxy)acetic acid (PubChem CID 84664453) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-7-yloxy)acetic acid.

Molecular Properties

Compound Name2-(1,2-benzoxazol-7-yloxy)acetic acid
PubChem CID84664453
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name2-(1,2-benzoxazol-7-yloxy)acetic acid
SMILESO=C(O)COc1cccc2cnoc12
InChIInChI=1S/C9H7NO4/c11-8(12)5-13-7-3-1-2-6-4-10-14-9(6)7/h1-4H,5H2,(H,11,12)
InChIKeyYHLXUSVAEQLSNZ-UHFFFAOYSA-N
XLogP1.29
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-7-yloxy)acetic acid?
The IUPAC name of 2-(1,2-benzoxazol-7-yloxy)acetic acid (CID 84664453) is 2-(1,2-benzoxazol-7-yloxy)acetic acid.
What is the SMILES notation for 2-(1,2-benzoxazol-7-yloxy)acetic acid?
The canonical SMILES for 2-(1,2-benzoxazol-7-yloxy)acetic acid is O=C(O)COc1cccc2cnoc12.
What is the InChIKey of 2-(1,2-benzoxazol-7-yloxy)acetic acid?
The InChIKey is YHLXUSVAEQLSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c11-8(12)5-13-7-3-1-2-6-4-10-14-9(6)7/h1-4H,5H2,(H,11,12).
What are the key properties of 2-(1,2-benzoxazol-7-yloxy)acetic acid?
2-(1,2-benzoxazol-7-yloxy)acetic acid has a molecular weight of 193.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-7-yloxy)acetic acid is sourced from PubChem (CID 84664453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).