2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol

C11H11BrN2O3 — CID 136966354

IUPAC2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
SMILESCOc1cc(Br)c(C)c(-c2cc(N)on2)c1O
InChIInChI=1S/C11H11BrN2O3/c1-5-6(12)3-8(16-2)11(15)10(5)7-4-9(13)17-14-7/h3-4,15H,13H2,1-2H3
InChIKeyMWLBOZLICAZNPO-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.71
Rot. Bonds2

About 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol

2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol (PubChem CID 136966354) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
PubChem CID136966354
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
SMILESCOc1cc(Br)c(C)c(-c2cc(N)on2)c1O
InChIInChI=1S/C11H11BrN2O3/c1-5-6(12)3-8(16-2)11(15)10(5)7-4-9(13)17-14-7/h3-4,15H,13H2,1-2H3
InChIKeyMWLBOZLICAZNPO-UHFFFAOYSA-N
XLogP2.71
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
CID 136931170
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
CID 136931070
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
CID 136998086
3-(5-amino-1,2-oxazol-3-yl)-2,4-difluoro-5-methoxyphenol
CID 117356931
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 136931065
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol (CID 136966354) is 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol is COc1cc(Br)c(C)c(-c2cc(N)on2)c1O.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol?
The InChIKey is MWLBOZLICAZNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-5-6(12)3-8(16-2)11(15)10(5)7-4-9(13)17-14-7/h3-4,15H,13H2,1-2H3.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol?
2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol has a molecular weight of 299.12 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol is sourced from PubChem (CID 136966354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).