3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C10H7BrF3NO — CID 150023445

IUPAC3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)C1CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C10H7BrF3NO/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9H,5H2
InChIKeyDFSXKFLXJHZXCN-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.50
Rot. Bonds1

About 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 150023445) has the molecular formula C10H7BrF3NO and a molecular weight of 294.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID150023445
Molecular FormulaC10H7BrF3NO
Molecular Weight294.07 g/mol
Exact Mass292.97
IUPAC Name3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)C1CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C10H7BrF3NO/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9H,5H2
InChIKeyDFSXKFLXJHZXCN-UHFFFAOYSA-N
XLogP3.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 150023445) is 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is FC(F)(F)C1CC(c2ccc(Br)cc2)=NO1.
What is the InChIKey of 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is DFSXKFLXJHZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9H,5H2.
What are the key properties of 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 294.07 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 150023445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).