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

C15H17NO4 — CID 114373410

IUPAC2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(C)c(OC)c2)oc1C(=O)O
InChIInChI=1S/C15H17NO4/c1-4-5-11-13(15(17)18)20-14(16-11)10-7-6-9(2)12(8-10)19-3/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyCRHNIZLPEHQYBS-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.31
Rot. Bonds5

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

2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373410) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
PubChem CID114373410
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(C)c(OC)c2)oc1C(=O)O
InChIInChI=1S/C15H17NO4/c1-4-5-11-13(15(17)18)20-14(16-11)10-7-6-9(2)12(8-10)19-3/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyCRHNIZLPEHQYBS-UHFFFAOYSA-N
XLogP3.31
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373284
2-(3-methoxy-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953889
methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371293
2-(3-chloro-4-methylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373845
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
2-(2-bromo-3-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107984237
2-(4-bromo-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842561
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole
CID 143181907
ethyl 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81284241
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371286
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid (CID 114373410) is 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid is CCCc1nc(-c2ccc(C)c(OC)c2)oc1C(=O)O.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is CRHNIZLPEHQYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-5-11-13(15(17)18)20-14(16-11)10-7-6-9(2)12(8-10)19-3/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).