4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol

C10H9BrN2O3 — CID 136931171

IUPAC4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
SMILESCOc1cc(-c2cc(N)on2)c(Br)cc1O
InChIInChI=1S/C10H9BrN2O3/c1-15-9-2-5(6(11)3-8(9)14)7-4-10(12)16-13-7/h2-4,14H,12H2,1H3
InChIKeyBUAZJQQTMBXSCU-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.40
Rot. Bonds2

About 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol

4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol (PubChem CID 136931171) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
PubChem CID136931171
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
SMILESCOc1cc(-c2cc(N)on2)c(Br)cc1O
InChIInChI=1S/C10H9BrN2O3/c1-15-9-2-5(6(11)3-8(9)14)7-4-10(12)16-13-7/h2-4,14H,12H2,1H3
InChIKeyBUAZJQQTMBXSCU-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

3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
CID 136998089
2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
CID 136931170
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol (CID 136931171) is 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol is COc1cc(-c2cc(N)on2)c(Br)cc1O.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol?
The InChIKey is BUAZJQQTMBXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-15-9-2-5(6(11)3-8(9)14)7-4-10(12)16-13-7/h2-4,14H,12H2,1H3.
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol?
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-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 4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol is sourced from PubChem (CID 136931171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).