2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol

C13H9BrN2O2 — CID 136712813

IUPAC2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol
SMILESNc1cccc(-c2nc3cc(Br)ccc3o2)c1O
InChIInChI=1S/C13H9BrN2O2/c14-7-4-5-11-10(6-7)16-13(18-11)8-2-1-3-9(15)12(8)17/h1-6,17H,15H2
InChIKeyYIWSAGFOHGKYSD-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.55
Rot. Bonds1

About 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol

2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol (PubChem CID 136712813) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol
PubChem CID136712813
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol
SMILESNc1cccc(-c2nc3cc(Br)ccc3o2)c1O
InChIInChI=1S/C13H9BrN2O2/c14-7-4-5-11-10(6-7)16-13(18-11)8-2-1-3-9(15)12(8)17/h1-6,17H,15H2
InChIKeyYIWSAGFOHGKYSD-UHFFFAOYSA-N
XLogP3.55
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(5-bromo-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 142681394
5-(5-bromo-1,3-benzoxazol-2-yl)benzene-1,3-diamine
CID 114003786
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
3-(5-chloro-1,3-benzoxazol-2-yl)benzene-1,2-diamine
CID 168953701
4-bromo-2-(5-tert-butyl-1,3-benzoxazol-2-yl)aniline
CID 63539691
2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol
CID 136845184
2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole
CID 95910362
4-bromo-2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 1125948
5-bromo-2-(3-tert-butylphenyl)-1,3-benzoxazole
CID 172609477
5-bromo-2-(2-bromo-3-methylphenyl)-1,3-benzoxazol-7-amine
CID 107982320
3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 142897927
4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228619

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol (CID 136712813) is 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol is Nc1cccc(-c2nc3cc(Br)ccc3o2)c1O.
What is the InChIKey of 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol?
The InChIKey is YIWSAGFOHGKYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-7-4-5-11-10(6-7)16-13(18-11)8-2-1-3-9(15)12(8)17/h1-6,17H,15H2.
What are the key properties of 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol?
2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol has a molecular weight of 305.13 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 136712813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).