4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid

C15H17NO4 — CID 104842346

IUPAC4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCCOc1cccc(-c2nc(CC)c(C(=O)O)o2)c1
InChIInChI=1S/C15H17NO4/c1-3-8-19-11-7-5-6-10(9-11)14-16-12(4-2)13(20-14)15(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVLIHHAWWUNEXFF-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.39
Rot. Bonds6

About 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid

4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 104842346) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
PubChem CID104842346
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCCOc1cccc(-c2nc(CC)c(C(=O)O)o2)c1
InChIInChI=1S/C15H17NO4/c1-3-8-19-11-7-5-6-10(9-11)14-16-12(4-2)13(20-14)15(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVLIHHAWWUNEXFF-UHFFFAOYSA-N
XLogP3.39
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198883
2-[3-(difluoromethoxy)phenyl]-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373848
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867
3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 112571624
2-(4-bromo-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842561
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842524
2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842536

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid (CID 104842346) is 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid is CCCOc1cccc(-c2nc(CC)c(C(=O)O)o2)c1.
What is the InChIKey of 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is VLIHHAWWUNEXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-8-19-11-7-5-6-10(9-11)14-16-12(4-2)13(20-14)15(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).