methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate

C11H9FN2O4 — CID 136942213

IUPACmethyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2cc(N)no2)cc(F)c1O
InChIInChI=1S/C11H9FN2O4/c1-17-11(16)6-2-5(3-7(12)10(6)15)8-4-9(13)14-18-8/h2-4,15H,1H3,(H2,13,14)
InChIKeyCUHASNOUHOYSIE-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.56
Rot. Bonds2

About methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate

methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate (PubChem CID 136942213) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate
PubChem CID136942213
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Namemethyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2cc(N)no2)cc(F)c1O
InChIInChI=1S/C11H9FN2O4/c1-17-11(16)6-2-5(3-7(12)10(6)15)8-4-9(13)14-18-8/h2-4,15H,1H3,(H2,13,14)
InChIKeyCUHASNOUHOYSIE-UHFFFAOYSA-N
XLogP1.56
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate
CID 136942210
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol
CID 136932498
5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117439355
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
2-(3-fluoro-4-hydroxy-5-methoxycarbonylphenyl)-2-oxoacetic acid
CID 117356880
methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate
CID 117328495
methyl 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-methylbenzoate
CID 117375479
3-(3-amino-1,2-oxazol-5-yl)-5-ethylphenol
CID 117292492
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
methyl 5-(3,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 154791625
3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
CID 117321250

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate?
The IUPAC name of methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate (CID 136942213) is methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate?
The canonical SMILES for methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate is COC(=O)c1cc(-c2cc(N)no2)cc(F)c1O.
What is the InChIKey of methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate?
The InChIKey is CUHASNOUHOYSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c1-17-11(16)6-2-5(3-7(12)10(6)15)8-4-9(13)14-18-8/h2-4,15H,1H3,(H2,13,14).
What are the key properties of methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate?
methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate has a molecular weight of 252.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate is sourced from PubChem (CID 136942213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).