4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid

C12H13NO5 — CID 70126365

IUPAC4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid
SMILESCOCCc1nc2c(OC)ccc(C(=O)O)c2o1
InChIInChI=1S/C12H13NO5/c1-16-6-5-9-13-10-8(17-2)4-3-7(12(14)15)11(10)18-9/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyKFNQXBGDRHGBNT-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.72
Rot. Bonds5

About 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid

4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid (PubChem CID 70126365) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid
PubChem CID70126365
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid
SMILESCOCCc1nc2c(OC)ccc(C(=O)O)c2o1
InChIInChI=1S/C12H13NO5/c1-16-6-5-9-13-10-8(17-2)4-3-7(12(14)15)11(10)18-9/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyKFNQXBGDRHGBNT-UHFFFAOYSA-N
XLogP1.72
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid
CID 18316634
2-(2-ethoxyethyl)-1,3-benzoxazole-7-carboxylic acid
CID 81346504
7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid
CID 22663191
4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid
CID 22663449
5,8-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11119371
3-cyano-2-ethyl-4-methoxybenzoic acid
CID 131530269
2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
CID 84689044
2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid
CID 44578581
2-(chloromethyl)-3-cyano-4-methoxybenzoic acid
CID 131608616
1-tert-butyl-5-(2-methoxyethyl)pyrazole-4-carboxylic acid
CID 68584322
2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 82302112
2-ethyl-2-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]butanoic acid
CID 114764820

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid?
The IUPAC name of 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid (CID 70126365) is 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid?
The canonical SMILES for 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid is COCCc1nc2c(OC)ccc(C(=O)O)c2o1.
What is the InChIKey of 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid?
The InChIKey is KFNQXBGDRHGBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-16-6-5-9-13-10-8(17-2)4-3-7(12(14)15)11(10)18-9/h3-4H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid?
4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid is sourced from PubChem (CID 70126365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).