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

C13H8BrNO3 — CID 135830954

IUPAC6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)c(Br)cc3o2)cc1
InChIInChI=1S/C13H8BrNO3/c14-9-5-12-10(6-11(9)17)15-13(18-12)7-1-3-8(16)4-2-7/h1-6,16-17H
InChIKeySRYMHRFJOFRTPE-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.67
Rot. Bonds1

About 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135830954) has the molecular formula C13H8BrNO3 and a molecular weight of 306.12 g/mol. Its IUPAC name is 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135830954
Molecular FormulaC13H8BrNO3
Molecular Weight306.12 g/mol
Exact Mass304.97
IUPAC Name6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)c(Br)cc3o2)cc1
InChIInChI=1S/C13H8BrNO3/c14-9-5-12-10(6-11(9)17)15-13(18-12)7-1-3-8(16)4-2-7/h1-6,16-17H
InChIKeySRYMHRFJOFRTPE-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

4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol
CID 135958578
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol
CID 135830961
4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid
CID 59831041
4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
CID 142716097
4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
CID 155757362
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
7-chloro-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135409255
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135830954) is 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is Oc1ccc(-c2nc3cc(O)c(Br)cc3o2)cc1.
What is the InChIKey of 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is SRYMHRFJOFRTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO3/c14-9-5-12-10(6-11(9)17)15-13(18-12)7-1-3-8(16)4-2-7/h1-6,16-17H.
What are the key properties of 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
6-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 6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135830954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).