2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol

C13H15BrN2O2 — CID 136928675

IUPAC2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol
SMILESCC(C)(C)c1cc(Br)cc(-c2cc(N)no2)c1O
InChIInChI=1S/C13H15BrN2O2/c1-13(2,3)9-5-7(14)4-8(12(9)17)10-6-11(15)16-18-10/h4-6,17H,1-3H3,(H2,15,16)
InChIKeyVIKACFOQZDUHMO-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.69
Rot. Bonds1

About 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol (PubChem CID 136928675) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol
PubChem CID136928675
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol
SMILESCC(C)(C)c1cc(Br)cc(-c2cc(N)no2)c1O
InChIInChI=1S/C13H15BrN2O2/c1-13(2,3)9-5-7(14)4-8(12(9)17)10-6-11(15)16-18-10/h4-6,17H,1-3H3,(H2,15,16)
InChIKeyVIKACFOQZDUHMO-UHFFFAOYSA-N
XLogP3.69
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol
CID 136995139
5-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998223
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
CID 136931071
3-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998225
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 137003431
2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol
CID 136942237
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol
CID 136986604
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol (CID 136928675) is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol is CC(C)(C)c1cc(Br)cc(-c2cc(N)no2)c1O.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol?
The InChIKey is VIKACFOQZDUHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-13(2,3)9-5-7(14)4-8(12(9)17)10-6-11(15)16-18-10/h4-6,17H,1-3H3,(H2,15,16).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol?
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol has a molecular weight of 311.18 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol is sourced from PubChem (CID 136928675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).