2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid

C6H4ClNO5 — CID 87623873

IUPAC2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid
SMILESO=C(O)COc1cc(C(=O)Cl)on1
InChIInChI=1S/C6H4ClNO5/c7-6(11)3-1-4(8-13-3)12-2-5(9)10/h1H,2H2,(H,9,10)
InChIKeyWPLNOUWWVYTLFV-UHFFFAOYSA-N
MW205.55 g/mol
LogP0.52
Rot. Bonds4

About 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid

2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid (PubChem CID 87623873) has the molecular formula C6H4ClNO5 and a molecular weight of 205.55 g/mol. Its IUPAC name is 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid
PubChem CID87623873
Molecular FormulaC6H4ClNO5
Molecular Weight205.55 g/mol
Exact Mass204.98
IUPAC Name2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid
SMILESO=C(O)COc1cc(C(=O)Cl)on1
InChIInChI=1S/C6H4ClNO5/c7-6(11)3-1-4(8-13-3)12-2-5(9)10/h1H,2H2,(H,9,10)
InChIKeyWPLNOUWWVYTLFV-UHFFFAOYSA-N
XLogP0.52
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.55
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid?
The IUPAC name of 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid (CID 87623873) is 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid?
The canonical SMILES for 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid is O=C(O)COc1cc(C(=O)Cl)on1.
What is the InChIKey of 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid?
The InChIKey is WPLNOUWWVYTLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO5/c7-6(11)3-1-4(8-13-3)12-2-5(9)10/h1H,2H2,(H,9,10).
What are the key properties of 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid?
2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid has a molecular weight of 205.55 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid is sourced from PubChem (CID 87623873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).