3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole

C10H9BrFNO — CID 174467415

IUPAC3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2ccc(Br)c(F)c2)=NO1
InChIInChI=1S/C10H9BrFNO/c1-6-4-10(13-14-6)7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3
InChIKeyHCRZNIDSVISCLI-UHFFFAOYSA-N
MW258.09 g/mol
LogP3.10
Rot. Bonds1

About 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole

3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 174467415) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID174467415
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2ccc(Br)c(F)c2)=NO1
InChIInChI=1S/C10H9BrFNO/c1-6-4-10(13-14-6)7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3
InChIKeyHCRZNIDSVISCLI-UHFFFAOYSA-N
XLogP3.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole (CID 174467415) is 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole is CC1CC(c2ccc(Br)c(F)c2)=NO1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is HCRZNIDSVISCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c1-6-4-10(13-14-6)7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 258.09 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 174467415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).