2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

C14H15NO6 — CID 114373867

IUPAC2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2ccc(OC)cc2OC)oc1C(=O)O
InChIInChI=1S/C14H15NO6/c1-18-7-10-12(14(16)17)21-13(15-10)9-5-4-8(19-2)6-11(9)20-3/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyFXBCCNIDXDEBJD-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.20
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114373867) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114373867
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2ccc(OC)cc2OC)oc1C(=O)O
InChIInChI=1S/C14H15NO6/c1-18-7-10-12(14(16)17)21-13(15-10)9-5-4-8(19-2)6-11(9)20-3/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyFXBCCNIDXDEBJD-UHFFFAOYSA-N
XLogP2.20
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373797
2-(4-bromo-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842557
4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114373983
4-(methoxymethyl)-2-(2-methyl-4-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 114373942
2-(4-chloro-2,5-difluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373861
4-(methoxymethyl)-2-(5-methyl-2-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 114373878
2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373828
2-(3-chloro-4-methylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373845
2-[3-(difluoromethoxy)phenyl]-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373848
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953853
methyl 2-(2,4-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371700

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (CID 114373867) is 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is COCc1nc(-c2ccc(OC)cc2OC)oc1C(=O)O.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is FXBCCNIDXDEBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-18-7-10-12(14(16)17)21-13(15-10)9-5-4-8(19-2)6-11(9)20-3/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).