2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid

C14H15NO5 — CID 98020627

IUPAC2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(-c2nc(C(=O)O)c(C)o2)c(OC)cc1C
InChIInChI=1S/C14H15NO5/c1-7-5-11(19-4)9(6-10(7)18-3)13-15-12(14(16)17)8(2)20-13/h5-6H,1-4H3,(H,16,17)
InChIKeyKGUQRKPVDCBSCQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.67
Rot. Bonds4

About 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid

2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 98020627) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID98020627
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(-c2nc(C(=O)O)c(C)o2)c(OC)cc1C
InChIInChI=1S/C14H15NO5/c1-7-5-11(19-4)9(6-10(7)18-3)13-15-12(14(16)17)8(2)20-13/h5-6H,1-4H3,(H,16,17)
InChIKeyKGUQRKPVDCBSCQ-UHFFFAOYSA-N
XLogP2.67
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65309309
5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 98019003
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
2-(3-methoxy-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953889
2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65238012
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-oxazole-5-carboxylic acid
CID 82302136
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 107974660
methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate
CID 44557879
3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid
CID 107525139
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 98020627) is 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is COc1cc(-c2nc(C(=O)O)c(C)o2)c(OC)cc1C.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is KGUQRKPVDCBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-7-5-11(19-4)9(6-10(7)18-3)13-15-12(14(16)17)8(2)20-13/h5-6H,1-4H3,(H,16,17).
What are the key properties of 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 98020627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).