2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol

C10H6BrF3N2O2 — CID 136995139

IUPAC2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol
SMILESNc1cc(-c2cc(Br)cc(C(F)(F)F)c2O)on1
InChIInChI=1S/C10H6BrF3N2O2/c11-4-1-5(7-3-8(15)16-18-7)9(17)6(2-4)10(12,13)14/h1-3,17H,(H2,15,16)
InChIKeyNSYZYLVEOULCQD-UHFFFAOYSA-N
MW323.07 g/mol
LogP3.41
Rot. Bonds1

About 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol (PubChem CID 136995139) has the molecular formula C10H6BrF3N2O2 and a molecular weight of 323.07 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol
PubChem CID136995139
Molecular FormulaC10H6BrF3N2O2
Molecular Weight323.07 g/mol
Exact Mass321.96
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol
SMILESNc1cc(-c2cc(Br)cc(C(F)(F)F)c2O)on1
InChIInChI=1S/C10H6BrF3N2O2/c11-4-1-5(7-3-8(15)16-18-7)9(17)6(2-4)10(12,13)14/h1-3,17H,(H2,15,16)
InChIKeyNSYZYLVEOULCQD-UHFFFAOYSA-N
XLogP3.41
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 53.41
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-tert-butylphenol
CID 136928675
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
CID 136931071
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol
CID 136932498
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
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347
3-(3-amino-1,2-oxazol-5-yl)-5-bromo-4-fluorobenzene-1,2-diol
CID 136968361
2-(3-amino-1,2-oxazol-5-yl)-4-fluorophenol
CID 137015317
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol (CID 136995139) is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol is Nc1cc(-c2cc(Br)cc(C(F)(F)F)c2O)on1.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol?
The InChIKey is NSYZYLVEOULCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O2/c11-4-1-5(7-3-8(15)16-18-7)9(17)6(2-4)10(12,13)14/h1-3,17H,(H2,15,16).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol?
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol has a molecular weight of 323.07 g/mol, XLogP of 3.41, 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-(trifluoromethyl)phenol is sourced from PubChem (CID 136995139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).