6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol

C11H11ClN2O3 — CID 136942355

IUPAC6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Cl)cc(-c2cc(N)on2)c1O
InChIInChI=1S/C11H11ClN2O3/c1-5-7(12)3-6(10(15)11(5)16-2)8-4-9(13)17-14-8/h3-4,15H,13H2,1-2H3
InChIKeyKUOGLQQQTYPJQK-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.60
Rot. Bonds2

About 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol

6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol (PubChem CID 136942355) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
PubChem CID136942355
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Cl)cc(-c2cc(N)on2)c1O
InChIInChI=1S/C11H11ClN2O3/c1-5-7(12)3-6(10(15)11(5)16-2)8-4-9(13)17-14-8/h3-4,15H,13H2,1-2H3
InChIKeyKUOGLQQQTYPJQK-UHFFFAOYSA-N
XLogP2.60
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
CID 117348496
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol
CID 136942354
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479241
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol?
The IUPAC name of 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol (CID 136942355) is 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol?
The canonical SMILES for 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol is COc1c(C)c(Cl)cc(-c2cc(N)on2)c1O.
What is the InChIKey of 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol?
The InChIKey is KUOGLQQQTYPJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-5-7(12)3-6(10(15)11(5)16-2)8-4-9(13)17-14-8/h3-4,15H,13H2,1-2H3.
What are the key properties of 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol?
6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol has a molecular weight of 254.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol is sourced from PubChem (CID 136942355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).