2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone

C11H10ClNO2 — CID 91429746

IUPAC2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone
SMILESO=C(CCl)C1=CC(c2ccccc2)ON1
InChIInChI=1S/C11H10ClNO2/c12-7-10(14)9-6-11(15-13-9)8-4-2-1-3-5-8/h1-6,11,13H,7H2
InChIKeyZYETXTYANYFVCT-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.95
Rot. Bonds3

About 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone

2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone (PubChem CID 91429746) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone
PubChem CID91429746
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone
SMILESO=C(CCl)C1=CC(c2ccccc2)ON1
InChIInChI=1S/C11H10ClNO2/c12-7-10(14)9-6-11(15-13-9)8-4-2-1-3-5-8/h1-6,11,13H,7H2
InChIKeyZYETXTYANYFVCT-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone (CID 91429746) is 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone is O=C(CCl)C1=CC(c2ccccc2)ON1.
What is the InChIKey of 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone?
The InChIKey is ZYETXTYANYFVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-7-10(14)9-6-11(15-13-9)8-4-2-1-3-5-8/h1-6,11,13H,7H2.
What are the key properties of 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone?
2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone has a molecular weight of 223.66 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 91429746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).