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

C11H10FNO2 — CID 116826261

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1=NCCO1)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-4H,5-7H2
InChIKeyWSQKAYWIQZGYGF-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.83
Rot. Bonds3

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

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 116826261) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
PubChem CID116826261
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1=NCCO1)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-4H,5-7H2
InChIKeyWSQKAYWIQZGYGF-UHFFFAOYSA-N
XLogP1.83
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone (CID 116826261) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone is O=C(CC1=NCCO1)c1ccc(F)cc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is WSQKAYWIQZGYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-4H,5-7H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone?
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 207.20 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 116826261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).