4,5-diethyl-1,2-oxazole-3-carboxylic acid

C8H11NO3 — CID 105434054

IUPAC4,5-diethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1onc(C(=O)O)c1CC
InChIInChI=1S/C8H11NO3/c1-3-5-6(4-2)12-9-7(5)8(10)11/h3-4H2,1-2H3,(H,10,11)
InChIKeyXTELSGMAHSEZBJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.50
Rot. Bonds3

About 4,5-diethyl-1,2-oxazole-3-carboxylic acid

4,5-diethyl-1,2-oxazole-3-carboxylic acid (PubChem CID 105434054) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4,5-diethyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4,5-diethyl-1,2-oxazole-3-carboxylic acid
PubChem CID105434054
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4,5-diethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1onc(C(=O)O)c1CC
InChIInChI=1S/C8H11NO3/c1-3-5-6(4-2)12-9-7(5)8(10)11/h3-4H2,1-2H3,(H,10,11)
InChIKeyXTELSGMAHSEZBJ-UHFFFAOYSA-N
XLogP1.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4,5-diethyl-1,2-oxazole-3-carboxylic acid (CID 105434054) is 4,5-diethyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4,5-diethyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4,5-diethyl-1,2-oxazole-3-carboxylic acid is CCc1onc(C(=O)O)c1CC.
What is the InChIKey of 4,5-diethyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is XTELSGMAHSEZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-5-6(4-2)12-9-7(5)8(10)11/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 4,5-diethyl-1,2-oxazole-3-carboxylic acid?
4,5-diethyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105434054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).