2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol

C11H11BrN2O2 — CID 136931071

IUPAC2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
SMILESCCc1cc(Br)cc(-c2cc(N)no2)c1O
InChIInChI=1S/C11H11BrN2O2/c1-2-6-3-7(12)4-8(11(6)15)9-5-10(13)14-16-9/h3-5,15H,2H2,1H3,(H2,13,14)
InChIKeyFACHJFRVZZLQHN-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.95
Rot. Bonds2

About 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol (PubChem CID 136931071) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
PubChem CID136931071
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
SMILESCCc1cc(Br)cc(-c2cc(N)no2)c1O
InChIInChI=1S/C11H11BrN2O2/c1-2-6-3-7(12)4-8(11(6)15)9-5-10(13)14-16-9/h3-5,15H,2H2,1H3,(H2,13,14)
InChIKeyFACHJFRVZZLQHN-UHFFFAOYSA-N
XLogP2.95
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine
CID 117420990
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-tert-butylphenol
CID 136928675
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol
CID 136995139
5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117335995
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 137003431
5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 117384774
2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol
CID 136942237
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol (CID 136931071) is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol is CCc1cc(Br)cc(-c2cc(N)no2)c1O.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol?
The InChIKey is FACHJFRVZZLQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-6-3-7(12)4-8(11(6)15)9-5-10(13)14-16-9/h3-5,15H,2H2,1H3,(H2,13,14).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol?
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol has a molecular weight of 283.12 g/mol, XLogP of 2.95, 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-6-ethylphenol is sourced from PubChem (CID 136931071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).