2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid

C10H7NO5 — CID 118820239

IUPAC2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
SMILESO=Cc1cccc2oc(C(O)C(=O)O)nc12
InChIInChI=1S/C10H7NO5/c12-4-5-2-1-3-6-7(5)11-9(16-6)8(13)10(14)15/h1-4,8,13H,(H,14,15)
InChIKeyRARYLNIFAAETHR-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.76
Rot. Bonds3

About 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid

2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid (PubChem CID 118820239) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
PubChem CID118820239
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Name2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
SMILESO=Cc1cccc2oc(C(O)C(=O)O)nc12
InChIInChI=1S/C10H7NO5/c12-4-5-2-1-3-6-7(5)11-9(16-6)8(13)10(14)15/h1-4,8,13H,(H,14,15)
InChIKeyRARYLNIFAAETHR-UHFFFAOYSA-N
XLogP0.76
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid (CID 118820239) is 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid is O=Cc1cccc2oc(C(O)C(=O)O)nc12.
What is the InChIKey of 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid?
The InChIKey is RARYLNIFAAETHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c12-4-5-2-1-3-6-7(5)11-9(16-6)8(13)10(14)15/h1-4,8,13H,(H,14,15).
What are the key properties of 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid?
2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid has a molecular weight of 221.17 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 118820239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).