5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine

C11H11BrN2O2 — CID 117454912

IUPAC5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(C)c(-c2cc(N)no2)cc1Br
InChIInChI=1S/C11H11BrN2O2/c1-6-3-10(15-2)8(12)4-7(6)9-5-11(13)14-16-9/h3-5H,1-2H3,(H2,13,14)
InChIKeyFYUPMOWWTNQAER-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.00
Rot. Bonds2

About 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine

5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 117454912) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID117454912
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(C)c(-c2cc(N)no2)cc1Br
InChIInChI=1S/C11H11BrN2O2/c1-6-3-10(15-2)8(12)4-7(6)9-5-11(13)14-16-9/h3-5H,1-2H3,(H2,13,14)
InChIKeyFYUPMOWWTNQAER-UHFFFAOYSA-N
XLogP3.00
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117373528
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
5-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117478358
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine (CID 117454912) is 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine is COc1cc(C)c(-c2cc(N)no2)cc1Br.
What is the InChIKey of 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is FYUPMOWWTNQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6-3-10(15-2)8(12)4-7(6)9-5-11(13)14-16-9/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine?
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 283.12 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117454912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).