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

C15H11BrFNO — CID 57308955

IUPAC5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=CC(c3cccc(Br)c3)ON2)cc1
InChIInChI=1S/C15H11BrFNO/c16-12-3-1-2-11(8-12)15-9-14(18-19-15)10-4-6-13(17)7-5-10/h1-9,15,18H
InChIKeyBRBKKFHKQVSSTJ-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.21
Rot. Bonds2

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

5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57308955) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57308955
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=CC(c3cccc(Br)c3)ON2)cc1
InChIInChI=1S/C15H11BrFNO/c16-12-3-1-2-11(8-12)15-9-14(18-19-15)10-4-6-13(17)7-5-10/h1-9,15,18H
InChIKeyBRBKKFHKQVSSTJ-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (CID 57308955) is 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is Fc1ccc(C2=CC(c3cccc(Br)c3)ON2)cc1.
What is the InChIKey of 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is BRBKKFHKQVSSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-12-3-1-2-11(8-12)15-9-14(18-19-15)10-4-6-13(17)7-5-10/h1-9,15,18H.
What are the key properties of 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 320.16 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57308955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).