1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone

C11H9ClFNO2 — CID 118567299

IUPAC1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)C1CC(c2cccc(Cl)c2F)=NO1
InChIInChI=1S/C11H9ClFNO2/c1-6(15)10-5-9(14-16-10)7-3-2-4-8(12)11(7)13/h2-4,10H,5H2,1H3
InChIKeyMDQJZTMUILQJDS-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.56
Rot. Bonds2

About 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone

1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone (PubChem CID 118567299) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone
PubChem CID118567299
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)C1CC(c2cccc(Cl)c2F)=NO1
InChIInChI=1S/C11H9ClFNO2/c1-6(15)10-5-9(14-16-10)7-3-2-4-8(12)11(7)13/h2-4,10H,5H2,1H3
InChIKeyMDQJZTMUILQJDS-UHFFFAOYSA-N
XLogP2.56
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone?
The IUPAC name of 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone (CID 118567299) is 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone is CC(=O)C1CC(c2cccc(Cl)c2F)=NO1.
What is the InChIKey of 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone?
The InChIKey is MDQJZTMUILQJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-6(15)10-5-9(14-16-10)7-3-2-4-8(12)11(7)13/h2-4,10H,5H2,1H3.
What are the key properties of 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone?
1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone has a molecular weight of 241.65 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 118567299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).