3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid

C13H13NO5 — CID 117411943

IUPAC3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCOCc1cccc(-c2cc(C(=O)O)on2)c1OC
InChIInChI=1S/C13H13NO5/c1-17-7-8-4-3-5-9(12(8)18-2)10-6-11(13(15)16)19-14-10/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyJZLGBECJGCLXFT-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.19
Rot. Bonds5

About 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117411943) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117411943
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCOCc1cccc(-c2cc(C(=O)O)on2)c1OC
InChIInChI=1S/C13H13NO5/c1-17-7-8-4-3-5-9(12(8)18-2)10-6-11(13(15)16)19-14-10/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyJZLGBECJGCLXFT-UHFFFAOYSA-N
XLogP2.19
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117496611
3-[2-hydroxy-3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 137017039
3-[3-chloro-4-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117422508
3-(1,2-benzoxazol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117331917
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117401317
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479241

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117411943) is 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid is COCc1cccc(-c2cc(C(=O)O)on2)c1OC.
What is the InChIKey of 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is JZLGBECJGCLXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-17-7-8-4-3-5-9(12(8)18-2)10-6-11(13(15)16)19-14-10/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117411943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).