5-phenyl-1,3-oxazole-4-carbonyl chloride

C10H6ClNO2 — CID 2776300

IUPAC5-phenyl-1,3-oxazole-4-carbonyl chloride
SMILESO=C(Cl)c1ncoc1-c1ccccc1
InChIInChI=1S/C10H6ClNO2/c11-10(13)8-9(14-6-12-8)7-4-2-1-3-5-7/h1-6H
InChIKeyBYLADISDYODORG-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.72
Rot. Bonds2

About 5-phenyl-1,3-oxazole-4-carbonyl chloride

5-phenyl-1,3-oxazole-4-carbonyl chloride (PubChem CID 2776300) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 5-phenyl-1,3-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-phenyl-1,3-oxazole-4-carbonyl chloride
PubChem CID2776300
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name5-phenyl-1,3-oxazole-4-carbonyl chloride
SMILESO=C(Cl)c1ncoc1-c1ccccc1
InChIInChI=1S/C10H6ClNO2/c11-10(13)8-9(14-6-12-8)7-4-2-1-3-5-7/h1-6H
InChIKeyBYLADISDYODORG-UHFFFAOYSA-N
XLogP2.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-phenyl-1,3-oxazole-4-carbonyl chloride?
The IUPAC name of 5-phenyl-1,3-oxazole-4-carbonyl chloride (CID 2776300) is 5-phenyl-1,3-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-phenyl-1,3-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-phenyl-1,3-oxazole-4-carbonyl chloride is O=C(Cl)c1ncoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1,3-oxazole-4-carbonyl chloride?
The InChIKey is BYLADISDYODORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-10(13)8-9(14-6-12-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-phenyl-1,3-oxazole-4-carbonyl chloride?
5-phenyl-1,3-oxazole-4-carbonyl chloride has a molecular weight of 207.62 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-oxazole-4-carbonyl chloride is sourced from PubChem (CID 2776300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).