5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid

C13H13NO4 — CID 82295702

IUPAC5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C13H13NO4/c1-7-4-8(2)12(17-3)9(5-7)11-6-10(13(15)16)14-18-11/h4-6H,1-3H3,(H,15,16)
InChIKeyRPAROQDXTWGCPC-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.67
Rot. Bonds3

About 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82295702) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID82295702
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C13H13NO4/c1-7-4-8(2)12(17-3)9(5-7)11-6-10(13(15)16)14-18-11/h4-6H,1-3H3,(H,15,16)
InChIKeyRPAROQDXTWGCPC-UHFFFAOYSA-N
XLogP2.67
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-2-methoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496634
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868943
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991948
5-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 117488319
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858895
5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431806
5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485824
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467331
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid (CID 82295702) is 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid is COc1c(C)cc(C)cc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is RPAROQDXTWGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-7-4-8(2)12(17-3)9(5-7)11-6-10(13(15)16)14-18-11/h4-6H,1-3H3,(H,15,16).
What are the key properties of 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82295702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).