2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid

C14H15NO4 — CID 82302112

IUPAC2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccccc1CCc1nc(C(=O)O)c(C)o1
InChIInChI=1S/C14H15NO4/c1-9-13(14(16)17)15-12(19-9)8-7-10-5-3-4-6-11(10)18-2/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyXUDOHBXVFBARFU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid

2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 82302112) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID82302112
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccccc1CCc1nc(C(=O)O)c(C)o1
InChIInChI=1S/C14H15NO4/c1-9-13(14(16)17)15-12(19-9)8-7-10-5-3-4-6-11(10)18-2/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyXUDOHBXVFBARFU-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-propyl-1,3-oxazole-4-carboxylic acid
CID 62232826
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3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
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2-[2-(2-ethoxyphenyl)ethyl]-4,5-dimethyl-1,3-oxazole
CID 54428781
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CID 42241082
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5-[2-(2-methoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 82291621
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CID 82227157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid (CID 82302112) is 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid is COc1ccccc1CCc1nc(C(=O)O)c(C)o1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is XUDOHBXVFBARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-13(14(16)17)15-12(19-9)8-7-10-5-3-4-6-11(10)18-2/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82302112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).