5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid

C11H9NO5 — CID 77231209

IUPAC5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
SMILESCOC(=O)Cc1ccc2oc(C(=O)O)nc2c1
InChIInChI=1S/C11H9NO5/c1-16-9(13)5-6-2-3-8-7(4-6)12-10(17-8)11(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyHDYGMTQCXKDKJE-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.24
Rot. Bonds3

About 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid

5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid (PubChem CID 77231209) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
PubChem CID77231209
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
SMILESCOC(=O)Cc1ccc2oc(C(=O)O)nc2c1
InChIInChI=1S/C11H9NO5/c1-16-9(13)5-6-2-3-8-7(4-6)12-10(17-8)11(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyHDYGMTQCXKDKJE-UHFFFAOYSA-N
XLogP1.24
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
5-(chloromethyl)-1,3-benzoxazole-2-carboxylic acid
CID 130786897
methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
2-[2-fluoro-4-[5-(2-methoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]phenyl]prop-2-enoic acid
CID 142897974
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
CID 115232907
methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate
CID 165353850
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
5-(hydroxymethyl)-1,3-benzoxazole-2-carbonyl chloride
CID 131030463
2-bromo-1-[5-(bromomethyl)-1,3-benzoxazol-2-yl]ethanone
CID 131306787
methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate
CID 71246503

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid (CID 77231209) is 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid is COC(=O)Cc1ccc2oc(C(=O)O)nc2c1.
What is the InChIKey of 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid?
The InChIKey is HDYGMTQCXKDKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c1-16-9(13)5-6-2-3-8-7(4-6)12-10(17-8)11(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid?
5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid has a molecular weight of 235.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid is sourced from PubChem (CID 77231209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).