4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol

C15H10BrNO2 — CID 174614758

IUPAC4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol
SMILESOc1ccc(Br)cc1-c1nc(-c2ccccc2)co1
InChIInChI=1S/C15H10BrNO2/c16-11-6-7-14(18)12(8-11)15-17-13(9-19-15)10-4-2-1-3-5-10/h1-9,18H
InChIKeyULTWPLGBGSZXMK-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.48
Rot. Bonds2

About 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol

4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol (PubChem CID 174614758) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol
PubChem CID174614758
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol
SMILESOc1ccc(Br)cc1-c1nc(-c2ccccc2)co1
InChIInChI=1S/C15H10BrNO2/c16-11-6-7-14(18)12(8-11)15-17-13(9-19-15)10-4-2-1-3-5-10/h1-9,18H
InChIKeyULTWPLGBGSZXMK-UHFFFAOYSA-N
XLogP4.48
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol?
The IUPAC name of 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol (CID 174614758) is 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol is Oc1ccc(Br)cc1-c1nc(-c2ccccc2)co1.
What is the InChIKey of 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol?
The InChIKey is ULTWPLGBGSZXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-11-6-7-14(18)12(8-11)15-17-13(9-19-15)10-4-2-1-3-5-10/h1-9,18H.
What are the key properties of 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol?
4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol has a molecular weight of 316.15 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-phenyl-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 174614758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).