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

C11H9BrFNO2 — CID 116826352

IUPAC1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
SMILESO=C(CC1=NCCO1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrFNO2/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-2,5H,3-4,6H2
InChIKeyRSFJDPISUUGDAE-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.59
Rot. Bonds3

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

1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone (PubChem CID 116826352) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
PubChem CID116826352
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
SMILESO=C(CC1=NCCO1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrFNO2/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-2,5H,3-4,6H2
InChIKeyRSFJDPISUUGDAE-UHFFFAOYSA-N
XLogP2.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826309
1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114894393
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655296
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 116826325
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
4-amino-1-(5-bromo-2-fluorophenyl)butan-1-one
CID 116553327
1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105116425
1-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826276
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-one
CID 79021474

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone (CID 116826352) is 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone is O=C(CC1=NCCO1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The InChIKey is RSFJDPISUUGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-2,5H,3-4,6H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone has a molecular weight of 286.10 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 116826352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).