2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol

C13H15BrN2O2 — CID 136928674

IUPAC2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol
SMILESCc1c(Br)cc(C(C)C)c(O)c1-c1cc(N)no1
InChIInChI=1S/C13H15BrN2O2/c1-6(2)8-4-9(14)7(3)12(13(8)17)10-5-11(15)16-18-10/h4-6,17H,1-3H3,(H2,15,16)
InChIKeyMBWXDJYFZVEPAG-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.82
Rot. Bonds2

About 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol (PubChem CID 136928674) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol
PubChem CID136928674
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol
SMILESCc1c(Br)cc(C(C)C)c(O)c1-c1cc(N)no1
InChIInChI=1S/C13H15BrN2O2/c1-6(2)8-4-9(14)7(3)12(13(8)17)10-5-11(15)16-18-10/h4-6,17H,1-3H3,(H2,15,16)
InChIKeyMBWXDJYFZVEPAG-UHFFFAOYSA-N
XLogP3.82
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3,5,6-trimethylphenol
CID 136986604
3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
CID 117454901
2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol
CID 136942237
3-(3-amino-1,2-oxazol-5-yl)-5-bromo-4-fluorobenzene-1,2-diol
CID 136968361
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435
4-(3-amino-1,2-oxazol-5-yl)-6-bromo-1,3-benzodioxol-5-ol
CID 136966346
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol
CID 117481982
5-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117478358
2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol
CID 117497312

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol (CID 136928674) is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol is Cc1c(Br)cc(C(C)C)c(O)c1-c1cc(N)no1.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol?
The InChIKey is MBWXDJYFZVEPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-6(2)8-4-9(14)7(3)12(13(8)17)10-5-11(15)16-18-10/h4-6,17H,1-3H3,(H2,15,16).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol?
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol has a molecular weight of 311.18 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 136928674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).