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

C11H9ClFNO2 — CID 91299353

IUPAC2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
SMILESO=C(CCl)C1=CC(c2ccccc2F)ON1
InChIInChI=1S/C11H9ClFNO2/c12-6-10(15)9-5-11(16-14-9)7-3-1-2-4-8(7)13/h1-5,11,14H,6H2
InChIKeyBKDGGPDUMFJSQF-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.09
Rot. Bonds3

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

2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone (PubChem CID 91299353) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
PubChem CID91299353
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
SMILESO=C(CCl)C1=CC(c2ccccc2F)ON1
InChIInChI=1S/C11H9ClFNO2/c12-6-10(15)9-5-11(16-14-9)7-3-1-2-4-8(7)13/h1-5,11,14H,6H2
InChIKeyBKDGGPDUMFJSQF-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 56635234
1-[5-(2,6-Difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 91309997
2-Chloro-1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 91573423
2-Bromo-1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 91610464
5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 176142591
3-(Chloromethyl)-5-phenyl-2,5-dihydro-1,2-oxazole
CID 57290249
2-Chloro-1-[5-(2-phenylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 90879231
2-Bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 91144733
2-Chloro-1-[5-(3-iodophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 91402584
2-Chloro-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 91429746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone (CID 91299353) is 2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone is O=C(CCl)C1=CC(c2ccccc2F)ON1.
What is the InChIKey of 2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The InChIKey is BKDGGPDUMFJSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c12-6-10(15)9-5-11(16-14-9)7-3-1-2-4-8(7)13/h1-5,11,14H,6H2.
What are the key properties of 2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
2-chloro-1-[5-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone has a molecular weight of 241.65 g/mol, XLogP of 2.09, 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-(2-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 91299353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).