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

C11H9FN2O4 — CID 136942210

IUPACmethyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2cc(N)on2)cc(F)c1O
InChIInChI=1S/C11H9FN2O4/c1-17-11(16)6-2-5(3-7(12)10(6)15)8-4-9(13)18-14-8/h2-4,15H,13H2,1H3
InChIKeyJWYXMJCGJZKCIX-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.56
Rot. Bonds2

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

methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate (PubChem CID 136942210) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate
PubChem CID136942210
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Namemethyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2cc(N)on2)cc(F)c1O
InChIInChI=1S/C11H9FN2O4/c1-17-11(16)6-2-5(3-7(12)10(6)15)8-4-9(13)18-14-8/h2-4,15H,13H2,1H3
InChIKeyJWYXMJCGJZKCIX-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-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate
CID 136942213
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
CID 136998086
3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117475787
3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358441
3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325893
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514
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
3-(3,4-difluoro-5-methoxycarbonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117453271
5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
CID 117348496
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570
methyl 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 172533149

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate?
The IUPAC name of methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate (CID 136942210) is methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate?
The canonical SMILES for methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate is COC(=O)c1cc(-c2cc(N)on2)cc(F)c1O.
What is the InChIKey of methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate?
The InChIKey is JWYXMJCGJZKCIX-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)18-14-8/h2-4,15H,13H2,1H3.
What are the key properties of methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate?
methyl 5-(5-amino-1,2-oxazol-3-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-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate is sourced from PubChem (CID 136942210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).