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

C11H11FN2O3 — CID 117348496

IUPAC5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(F)cc(-c2cc(N)on2)c(C)c1O
InChIInChI=1S/C11H11FN2O3/c1-5-6(8-4-9(13)17-14-8)3-7(12)11(16-2)10(5)15/h3-4,15H,13H2,1-2H3
InChIKeyMUOBNFIVWMRUSH-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.09
Rot. Bonds2

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

5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol (PubChem CID 117348496) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
PubChem CID117348496
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(F)cc(-c2cc(N)on2)c(C)c1O
InChIInChI=1S/C11H11FN2O3/c1-5-6(8-4-9(13)17-14-8)3-7(12)11(16-2)10(5)15/h3-4,15H,13H2,1-2H3
InChIKeyMUOBNFIVWMRUSH-UHFFFAOYSA-N
XLogP2.09
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
CID 136942355
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
2-(5-amino-1,2-oxazol-3-yl)-6-fluoro-4-methylphenol
CID 136998714
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 117385228
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
6-(5-amino-1,2-oxazol-3-yl)-2-fluoro-3-methylphenol
CID 136998707
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol?
The IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol (CID 117348496) is 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol?
The canonical SMILES for 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol is COc1c(F)cc(-c2cc(N)on2)c(C)c1O.
What is the InChIKey of 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol?
The InChIKey is MUOBNFIVWMRUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-5-6(8-4-9(13)17-14-8)3-7(12)11(16-2)10(5)15/h3-4,15H,13H2,1-2H3.
What are the key properties of 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol?
5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol has a molecular weight of 238.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol is sourced from PubChem (CID 117348496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).