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

C11H15NO4 — CID 105482844

IUPAC4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)noc1C1CCCCO1
InChIInChI=1S/C11H15NO4/c1-2-7-9(11(13)14)12-16-10(7)8-5-3-4-6-15-8/h8H,2-6H2,1H3,(H,13,14)
InChIKeyOMPUFVCSVODEDS-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.18
Rot. Bonds3

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

4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 105482844) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID105482844
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)noc1C1CCCCO1
InChIInChI=1S/C11H15NO4/c1-2-7-9(11(13)14)12-16-10(7)8-5-3-4-6-15-8/h8H,2-6H2,1H3,(H,13,14)
InChIKeyOMPUFVCSVODEDS-UHFFFAOYSA-N
XLogP2.18
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid (CID 105482844) is 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid is CCc1c(C(=O)O)noc1C1CCCCO1.
What is the InChIKey of 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is OMPUFVCSVODEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-7-9(11(13)14)12-16-10(7)8-5-3-4-6-15-8/h8H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid?
4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(oxan-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105482844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).