3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol

C10H9FN2O3 — CID 117321279

IUPAC3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
SMILESCOc1cc(O)c(F)c(-c2cnoc2N)c1
InChIInChI=1S/C10H9FN2O3/c1-15-5-2-6(9(11)8(14)3-5)7-4-13-16-10(7)12/h2-4,14H,12H2,1H3
InChIKeyYFECUNIBVATRII-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.78
Rot. Bonds2

About 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol

3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol (PubChem CID 117321279) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
PubChem CID117321279
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
SMILESCOc1cc(O)c(F)c(-c2cnoc2N)c1
InChIInChI=1S/C10H9FN2O3/c1-15-5-2-6(9(11)8(14)3-5)7-4-13-16-10(7)12/h2-4,14H,12H2,1H3
InChIKeyYFECUNIBVATRII-UHFFFAOYSA-N
XLogP1.78
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490148
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-(5-bromo-2,3-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490147
4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117480763
4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
CID 117299784
4-(2,3-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299828
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
CID 117329312
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
CID 117318069

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol?
The IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol (CID 117321279) is 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol is COc1cc(O)c(F)c(-c2cnoc2N)c1.
What is the InChIKey of 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol?
The InChIKey is YFECUNIBVATRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-15-5-2-6(9(11)8(14)3-5)7-4-13-16-10(7)12/h2-4,14H,12H2,1H3.
What are the key properties of 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol?
3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol has a molecular weight of 224.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol is sourced from PubChem (CID 117321279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).