2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride

C6H6ClNO3 — CID 71362890

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride
SMILESCc1cc(OCC(=O)Cl)no1
InChIInChI=1S/C6H6ClNO3/c1-4-2-6(8-11-4)10-3-5(7)9/h2H,3H2,1H3
InChIKeyNZARWJHEWZKCNQ-UHFFFAOYSA-N
MW175.57 g/mol
LogP1.13
Rot. Bonds3

About 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride

2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride (PubChem CID 71362890) has the molecular formula C6H6ClNO3 and a molecular weight of 175.57 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride
PubChem CID71362890
Molecular FormulaC6H6ClNO3
Molecular Weight175.57 g/mol
Exact Mass175.00
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride
SMILESCc1cc(OCC(=O)Cl)no1
InChIInChI=1S/C6H6ClNO3/c1-4-2-6(8-11-4)10-3-5(7)9/h2H,3H2,1H3
InChIKeyNZARWJHEWZKCNQ-UHFFFAOYSA-N
XLogP1.13
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.57
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride (CID 71362890) is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride is Cc1cc(OCC(=O)Cl)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride?
The InChIKey is NZARWJHEWZKCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3/c1-4-2-6(8-11-4)10-3-5(7)9/h2H,3H2,1H3.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride?
2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride has a molecular weight of 175.57 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl chloride is sourced from PubChem (CID 71362890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).