3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid

C14H15NO4 — CID 82132984

IUPAC3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
SMILESCOc1ccc(C)cc1-c1ncoc1CCC(=O)O
InChIInChI=1S/C14H15NO4/c1-9-3-4-11(18-2)10(7-9)14-12(19-8-15-14)5-6-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyMTODOXDJIJMTQC-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.68
Rot. Bonds5

About 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid

3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid (PubChem CID 82132984) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
PubChem CID82132984
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
SMILESCOc1ccc(C)cc1-c1ncoc1CCC(=O)O
InChIInChI=1S/C14H15NO4/c1-9-3-4-11(18-2)10(7-9)14-12(19-8-15-14)5-6-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyMTODOXDJIJMTQC-UHFFFAOYSA-N
XLogP2.68
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82121422
3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
CID 167844333
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid
CID 82302135
3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid
CID 84611925
2-(2-methoxy-5-methylphenyl)-5,6-dimethylpyridine-3-carboxamide
CID 77083473
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
CID 82541048
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
2-[6-(2-methoxy-5-methylphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073407
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 28709823

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid (CID 82132984) is 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid is COc1ccc(C)cc1-c1ncoc1CCC(=O)O.
What is the InChIKey of 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is MTODOXDJIJMTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-3-4-11(18-2)10(7-9)14-12(19-8-15-14)5-6-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid?
3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 82132984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).