4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid

C10H9NO4 — CID 117110028

IUPAC4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2onc(C)c12
InChIInChI=1S/C10H9NO4/c1-5-8-7(15-11-5)4-3-6(10(12)13)9(8)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyYUWDQCKWWYSGPY-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.84
Rot. Bonds2

About 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid

4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid (PubChem CID 117110028) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid
PubChem CID117110028
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2onc(C)c12
InChIInChI=1S/C10H9NO4/c1-5-8-7(15-11-5)4-3-6(10(12)13)9(8)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyYUWDQCKWWYSGPY-UHFFFAOYSA-N
XLogP1.84
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-fluoro-5-methoxy-3-methyl-1,2-benzoxazole
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7-methoxy-1,2-benzoxazole-6-carboxylic acid
CID 117109900
(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine
CID 117110094
2-amino-3-methoxyterephthalic acid
CID 132516468
2-chloro-3-methoxyterephthalic acid
CID 126601706
4-methoxy-2H-indazole-5-carboxylic acid
CID 135829581
6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid
CID 96597337
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
3,4-dibromo-2-methoxybenzoic acid
CID 171002402

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid (CID 117110028) is 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid is COc1c(C(=O)O)ccc2onc(C)c12.
What is the InChIKey of 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid?
The InChIKey is YUWDQCKWWYSGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-5-8-7(15-11-5)4-3-6(10(12)13)9(8)14-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid?
4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 117110028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).