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

C14H15NO3 — CID 117364843

IUPAC3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)on2)cc1CC
InChIInChI=1S/C14H15NO3/c1-3-9-5-6-11(7-10(9)4-2)12-8-13(14(16)17)18-15-12/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyOVCJSJSIVUPVBY-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.16
Rot. Bonds4

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

3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117364843) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117364843
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)on2)cc1CC
InChIInChI=1S/C14H15NO3/c1-3-9-5-6-11(7-10(9)4-2)12-8-13(14(16)17)18-15-12/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyOVCJSJSIVUPVBY-UHFFFAOYSA-N
XLogP3.16
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-4-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117422508
3-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476922
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(3-methyl-4-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375835
3-(3-methyl-1,2-benzoxazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117361899
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489575
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117385137
3-(4-methoxy-3-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117478784
3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 67517083
3-(4-fluoro-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375400
3-[4-(3-fluoropropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117375396

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117364843) is 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)on2)cc1CC.
What is the InChIKey of 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OVCJSJSIVUPVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-9-5-6-11(7-10(9)4-2)12-8-13(14(16)17)18-15-12/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117364843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).