4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid

C11H11NO5 — CID 22663449

IUPAC4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid
SMILESCOCc1nc2c(OC)cc(C(=O)O)cc2o1
InChIInChI=1S/C11H11NO5/c1-15-5-9-12-10-7(16-2)3-6(11(13)14)4-8(10)17-9/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyXFBORLNBGFNSAV-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.68
Rot. Bonds4

About 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid

4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid (PubChem CID 22663449) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid
PubChem CID22663449
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid
SMILESCOCc1nc2c(OC)cc(C(=O)O)cc2o1
InChIInChI=1S/C11H11NO5/c1-15-5-9-12-10-7(16-2)3-6(11(13)14)4-8(10)17-9/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyXFBORLNBGFNSAV-UHFFFAOYSA-N
XLogP1.68
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,9-dimethoxyphenazine-2,7-dicarboxylic acid
CID 146380937
2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid
CID 89271531
6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole
CID 168977711
2-[(2-methylpropan-2-yl)oxymethyl]-1,3-benzoxazole-6-carboxylic acid
CID 112605925
CID 167501058
CID 167501058
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
2-[(4-tert-butylphenoxy)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 24966893
7-methoxy-3-methyl-2H-indazole-5-carboxylic acid
CID 66920545
4-(ethylamino)-3,5-dimethoxybenzoic acid
CID 21280955
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid (CID 22663449) is 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid is COCc1nc2c(OC)cc(C(=O)O)cc2o1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is XFBORLNBGFNSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-15-5-9-12-10-7(16-2)3-6(11(13)14)4-8(10)17-9/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid?
4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 22663449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).