4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C15H10BrF2NO — CID 11046011

IUPAC4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CO1
InChIInChI=1S/C15H10BrF2NO/c16-10-6-4-9(5-7-10)13-8-20-15(19-13)14-11(17)2-1-3-12(14)18/h1-7,13H,8H2
InChIKeyBTHSKBNIIDWPDA-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.25
Rot. Bonds2

About 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 11046011) has the molecular formula C15H10BrF2NO and a molecular weight of 338.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID11046011
Molecular FormulaC15H10BrF2NO
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CO1
InChIInChI=1S/C15H10BrF2NO/c16-10-6-4-9(5-7-10)13-8-20-15(19-13)14-11(17)2-1-3-12(14)18/h1-7,13H,8H2
InChIKeyBTHSKBNIIDWPDA-UHFFFAOYSA-N
XLogP4.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 11046011) is 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CO1.
What is the InChIKey of 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BTHSKBNIIDWPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO/c16-10-6-4-9(5-7-10)13-8-20-15(19-13)14-11(17)2-1-3-12(14)18/h1-7,13H,8H2.
What are the key properties of 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 338.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11046011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).