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

C10H9FN2O3 — CID 117321250

IUPAC3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
SMILESCOc1ccc(-c2cc(N)no2)c(F)c1O
InChIInChI=1S/C10H9FN2O3/c1-15-6-3-2-5(9(11)10(6)14)7-4-8(12)13-16-7/h2-4,14H,1H3,(H2,12,13)
InChIKeyPKDKGBISMWOCDD-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.78
Rot. Bonds2

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

3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol (PubChem CID 117321250) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
PubChem CID117321250
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
SMILESCOc1ccc(-c2cc(N)no2)c(F)c1O
InChIInChI=1S/C10H9FN2O3/c1-15-6-3-2-5(9(11)10(6)14)7-4-8(12)13-16-7/h2-4,14H,1H3,(H2,12,13)
InChIKeyPKDKGBISMWOCDD-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

2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
CID 137013055
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117419900
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117332191
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol?
The IUPAC name of 3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol (CID 117321250) is 3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol.
What is the SMILES notation for 3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol?
The canonical SMILES for 3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol is COc1ccc(-c2cc(N)no2)c(F)c1O.
What is the InChIKey of 3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol?
The InChIKey is PKDKGBISMWOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-15-6-3-2-5(9(11)10(6)14)7-4-8(12)13-16-7/h2-4,14H,1H3,(H2,12,13).
What are the key properties of 3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol?
3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-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-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol is sourced from PubChem (CID 117321250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).