2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol

C10H9BrN2O3 — CID 136931170

IUPAC2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
SMILESCOc1ccc(Br)c(-c2cc(N)on2)c1O
InChIInChI=1S/C10H9BrN2O3/c1-15-7-3-2-5(11)9(10(7)14)6-4-8(12)16-13-6/h2-4,14H,12H2,1H3
InChIKeyYAZLFJTVDOXDPC-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.40
Rot. Bonds2

About 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol

2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol (PubChem CID 136931170) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
PubChem CID136931170
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
SMILESCOc1ccc(Br)c(-c2cc(N)on2)c1O
InChIInChI=1S/C10H9BrN2O3/c1-15-7-3-2-5(11)9(10(7)14)6-4-8(12)16-13-6/h2-4,14H,12H2,1H3
InChIKeyYAZLFJTVDOXDPC-UHFFFAOYSA-N
XLogP2.40
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
CID 136966354
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
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
3-(5-amino-1,2-oxazol-3-yl)-2,4-difluoro-5-methoxyphenol
CID 117356931
5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
CID 136998089
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
CID 136931070
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-(2,7-dimethoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117428855
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
CID 136998086

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol (CID 136931170) is 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol is COc1ccc(Br)c(-c2cc(N)on2)c1O.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol?
The InChIKey is YAZLFJTVDOXDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-15-7-3-2-5(11)9(10(7)14)6-4-8(12)16-13-6/h2-4,14H,12H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol?
2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol has a molecular weight of 285.10 g/mol, XLogP of 2.40, 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)-3-bromo-6-methoxyphenol is sourced from PubChem (CID 136931170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).