2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone

C17H14ClNO2 — CID 90879231

IUPAC2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
SMILESO=C(CCl)C1=CC(c2ccccc2-c2ccccc2)ON1
InChIInChI=1S/C17H14ClNO2/c18-11-16(20)15-10-17(21-19-15)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-10,17,19H,11H2
InChIKeyWQEBVENWVIZLMF-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.62
Rot. Bonds4

About 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone

2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone (PubChem CID 90879231) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
PubChem CID90879231
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
SMILESO=C(CCl)C1=CC(c2ccccc2-c2ccccc2)ON1
InChIInChI=1S/C17H14ClNO2/c18-11-16(20)15-10-17(21-19-15)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-10,17,19H,11H2
InChIKeyWQEBVENWVIZLMF-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.62
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-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone (CID 90879231) is 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone is O=C(CCl)C1=CC(c2ccccc2-c2ccccc2)ON1.
What is the InChIKey of 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The InChIKey is WQEBVENWVIZLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-11-16(20)15-10-17(21-19-15)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-10,17,19H,11H2.
What are the key properties of 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone has a molecular weight of 299.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 90879231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).