(5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole

C16H11BrF3NO — CID 46928532

IUPAC(5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)[C@]1(c2ccc(Br)cc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H11BrF3NO/c17-13-8-6-12(7-9-13)15(16(18,19)20)10-14(21-22-15)11-4-2-1-3-5-11/h1-9H,10H2/t15-/m1/s1
InChIKeyLIVGZTXXSUYPNR-OAHLLOKOSA-N
MW370.17 g/mol
LogP5.03
Rot. Bonds2

About (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole

(5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 46928532) has the molecular formula C16H11BrF3NO and a molecular weight of 370.17 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID46928532
Molecular FormulaC16H11BrF3NO
Molecular Weight370.17 g/mol
Exact Mass369.00
IUPAC Name(5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)[C@]1(c2ccc(Br)cc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H11BrF3NO/c17-13-8-6-12(7-9-13)15(16(18,19)20)10-14(21-22-15)11-4-2-1-3-5-11/h1-9H,10H2/t15-/m1/s1
InChIKeyLIVGZTXXSUYPNR-OAHLLOKOSA-N
XLogP5.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.17
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 46928532) is (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)[C@]1(c2ccc(Br)cc2)CC(c2ccccc2)=NO1.
What is the InChIKey of (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is LIVGZTXXSUYPNR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11BrF3NO/c17-13-8-6-12(7-9-13)15(16(18,19)20)10-14(21-22-15)11-4-2-1-3-5-11/h1-9H,10H2/t15-/m1/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
(5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 370.17 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 46928532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).