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

C11H15NO3 — CID 104842413

IUPAC2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C(C)C2CC2)oc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-8-9(11(13)14)15-10(12-8)6(2)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyQXCWJZLGTJADJD-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.45
Rot. Bonds4

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

2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (PubChem CID 104842413) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
PubChem CID104842413
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C(C)C2CC2)oc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-8-9(11(13)14)15-10(12-8)6(2)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyQXCWJZLGTJADJD-UHFFFAOYSA-N
XLogP2.45
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589
2-(7-bicyclo[4.1.0]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842353
4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid
CID 114097257
4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551
4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid
CID 124597917
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842337
4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 83673039
2-(1-methoxyethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374798
4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 104838461
2-(2,4-dimethylpentan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114282368
4-(2-methylpropyl)-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374651
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (CID 104842413) is 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is CCc1nc(C(C)C2CC2)oc1C(=O)O.
What is the InChIKey of 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is QXCWJZLGTJADJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-8-9(11(13)14)15-10(12-8)6(2)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).