2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole

C19H11BrFNO — CID 95910362

IUPAC2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole
SMILESFc1cc(Br)ccc1-c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C19H11BrFNO/c20-14-7-8-15(16(21)11-14)19-22-17-10-13(6-9-18(17)23-19)12-4-2-1-3-5-12/h1-11H
InChIKeySCZIMAQIEZLFPL-UHFFFAOYSA-N
MW368.21 g/mol
LogP6.06
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole

2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole (PubChem CID 95910362) has the molecular formula C19H11BrFNO and a molecular weight of 368.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole
PubChem CID95910362
Molecular FormulaC19H11BrFNO
Molecular Weight368.21 g/mol
Exact Mass367.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole
SMILESFc1cc(Br)ccc1-c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C19H11BrFNO/c20-14-7-8-15(16(21)11-14)19-22-17-10-13(6-9-18(17)23-19)12-4-2-1-3-5-12/h1-11H
InChIKeySCZIMAQIEZLFPL-UHFFFAOYSA-N
XLogP6.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.21
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole (CID 95910362) is 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole is Fc1cc(Br)ccc1-c1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole?
The InChIKey is SCZIMAQIEZLFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrFNO/c20-14-7-8-15(16(21)11-14)19-22-17-10-13(6-9-18(17)23-19)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole?
2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole has a molecular weight of 368.21 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 95910362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).