5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid

C11H10N2O5 — CID 136998086

IUPAC5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(-c2cc(N)on2)cc(C(=O)O)c1O
InChIInChI=1S/C11H10N2O5/c1-17-8-3-5(7-4-9(12)18-13-7)2-6(10(8)14)11(15)16/h2-4,14H,12H2,1H3,(H,15,16)
InChIKeyUIHXTSZBVFZTNG-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.34
Rot. Bonds3

About 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid

5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid (PubChem CID 136998086) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
PubChem CID136998086
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(-c2cc(N)on2)cc(C(=O)O)c1O
InChIInChI=1S/C11H10N2O5/c1-17-8-3-5(7-4-9(12)18-13-7)2-6(10(8)14)11(15)16/h2-4,14H,12H2,1H3,(H,15,16)
InChIKeyUIHXTSZBVFZTNG-UHFFFAOYSA-N
XLogP1.34
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
CID 136998089
methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate
CID 136942210
5-amino-2-hydroxy-3-methoxybenzoic acid
CID 50883012
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570
2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
CID 136966354
3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358441
3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
CID 117414574
2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
CID 136931170
5-(5-amino-1,2-oxazol-3-yl)-7-methoxy-1,3-benzoxathiol-2-one
CID 117414699
3-(3-hydroxy-4,5-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117416589
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid?
The IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid (CID 136998086) is 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid?
The canonical SMILES for 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid is COc1cc(-c2cc(N)on2)cc(C(=O)O)c1O.
What is the InChIKey of 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid?
The InChIKey is UIHXTSZBVFZTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-17-8-3-5(7-4-9(12)18-13-7)2-6(10(8)14)11(15)16/h2-4,14H,12H2,1H3,(H,15,16).
What are the key properties of 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid?
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid has a molecular weight of 250.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid is sourced from PubChem (CID 136998086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).