7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

C13H8BrNO3 — CID 135418373

IUPAC7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1
InChIInChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H
InChIKeyBAAILVWEAXFTSF-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.67
Rot. Bonds1

About 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135418373) has the molecular formula C13H8BrNO3 and a molecular weight of 306.12 g/mol. Its IUPAC name is 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135418373
Molecular FormulaC13H8BrNO3
Molecular Weight306.12 g/mol
Exact Mass304.97
IUPAC Name7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1
InChIInChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H
InChIKeyBAAILVWEAXFTSF-UHFFFAOYSA-N
XLogP3.67
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Prinaberel
CID 656954
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
5-Benzoxazolol, 2-(4-hydroxyphenyl)-
CID 135405741
7-Ethynyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135409723
2-(4-Hydroxy-phenyl)-7-methoxy-benzooxazol-5-ol
CID 135409725
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756
7-Ethyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135442585
2-(4-Hydroxy-phenyl)-7-isopropyl-benzooxazol-5-ol
CID 135442595
2-(3-Chloro-4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135443280
4-(5-Hydroxy-benzooxazol-2-yl)-benzene-1,3-diol
CID 135486039
2-(4-Hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol
CID 135494488

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135418373) is 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1.
What is the InChIKey of 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is BAAILVWEAXFTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H.
What are the key properties of 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 306.12 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135418373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).