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

C15H17NO5 — CID 114373284

IUPAC2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(OC)c(OC)c2)oc1C(=O)O
InChIInChI=1S/C15H17NO5/c1-4-5-10-13(15(17)18)21-14(16-10)9-6-7-11(19-2)12(8-9)20-3/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyWVIIGRDBFWECRT-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.01
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373284) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
PubChem CID114373284
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(OC)c(OC)c2)oc1C(=O)O
InChIInChI=1S/C15H17NO5/c1-4-5-10-13(15(17)18)21-14(16-10)9-6-7-11(19-2)12(8-9)20-3/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyWVIIGRDBFWECRT-UHFFFAOYSA-N
XLogP3.01
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373410
methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371293
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
2-(3-methoxy-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953889
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
2-(2-bromo-3-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107984237
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371286
2-(3,4-dimethoxyphenyl)-5-methyl-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 25460209
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid (CID 114373284) is 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid is CCCc1nc(-c2ccc(OC)c(OC)c2)oc1C(=O)O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is WVIIGRDBFWECRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-4-5-10-13(15(17)18)21-14(16-10)9-6-7-11(19-2)12(8-9)20-3/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).