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

C10H13NO4 — CID 104842551

IUPAC4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C2CCOC2)oc1C(=O)O
InChIInChI=1S/C10H13NO4/c1-2-7-8(10(12)13)15-9(11-7)6-3-4-14-5-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyXFKOMNJCBPMPBQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.44
Rot. Bonds3

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

4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 104842551) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID104842551
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C2CCOC2)oc1C(=O)O
InChIInChI=1S/C10H13NO4/c1-2-7-8(10(12)13)15-9(11-7)6-3-4-14-5-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyXFKOMNJCBPMPBQ-UHFFFAOYSA-N
XLogP1.44
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid (CID 104842551) is 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid is CCc1nc(C2CCOC2)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is XFKOMNJCBPMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-7-8(10(12)13)15-9(11-7)6-3-4-14-5-6/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).