2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid

C13H19NO4 — CID 114106018

IUPAC2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCCC1OCCC1c1nc(C(C)C)c(C(=O)O)o1
InChIInChI=1S/C13H19NO4/c1-4-9-8(5-6-17-9)12-14-10(7(2)3)11(18-12)13(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyJPACLYOZIIJWDO-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid

2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 114106018) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
PubChem CID114106018
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCCC1OCCC1c1nc(C(C)C)c(C(=O)O)o1
InChIInChI=1S/C13H19NO4/c1-4-9-8(5-6-17-9)12-14-10(7(2)3)11(18-12)13(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyJPACLYOZIIJWDO-UHFFFAOYSA-N
XLogP2.78
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (CID 114106018) is 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is CCC1OCCC1c1nc(C(C)C)c(C(=O)O)o1.
What is the InChIKey of 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is JPACLYOZIIJWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-9-8(5-6-17-9)12-14-10(7(2)3)11(18-12)13(15)16/h7-9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114106018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).