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

C12H12FNO2 — CID 116826265

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CC2=NCCO2)ccc1F
InChIInChI=1S/C12H12FNO2/c1-8-6-9(2-3-10(8)13)11(15)7-12-14-4-5-16-12/h2-3,6H,4-5,7H2,1H3
InChIKeyIVYPZQKXCUBBCH-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.14
Rot. Bonds3

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

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 116826265) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID116826265
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CC2=NCCO2)ccc1F
InChIInChI=1S/C12H12FNO2/c1-8-6-9(2-3-10(8)13)11(15)7-12-14-4-5-16-12/h2-3,6H,4-5,7H2,1H3
InChIKeyIVYPZQKXCUBBCH-UHFFFAOYSA-N
XLogP2.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.14
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-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone (CID 116826265) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)CC2=NCCO2)ccc1F.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is IVYPZQKXCUBBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-8-6-9(2-3-10(8)13)11(15)7-12-14-4-5-16-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 221.23 g/mol, XLogP of 2.14, 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-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 116826265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).