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

C10H9BrN2O3 — CID 117458746

IUPAC2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
SMILESCOc1cc(-c2cnoc2N)c(O)cc1Br
InChIInChI=1S/C10H9BrN2O3/c1-15-9-2-5(8(14)3-7(9)11)6-4-13-16-10(6)12/h2-4,14H,12H2,1H3
InChIKeySMUBKTIULSMVFS-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.40
Rot. Bonds2

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

2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol (PubChem CID 117458746) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
PubChem CID117458746
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
SMILESCOc1cc(-c2cnoc2N)c(O)cc1Br
InChIInChI=1S/C10H9BrN2O3/c1-15-9-2-5(8(14)3-7(9)11)6-4-13-16-10(6)12/h2-4,14H,12H2,1H3
InChIKeySMUBKTIULSMVFS-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

Analyze 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117493833
3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
CID 117321279
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490148
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol (CID 117458746) is 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol is COc1cc(-c2cnoc2N)c(O)cc1Br.
What is the InChIKey of 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol?
The InChIKey is SMUBKTIULSMVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-15-9-2-5(8(14)3-7(9)11)6-4-13-16-10(6)12/h2-4,14H,12H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol?
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-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-4-yl)-5-bromo-4-methoxyphenol is sourced from PubChem (CID 117458746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).