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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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).