5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole

C11H19NO — CID 121345564

IUPAC5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCCc1onc(C(C)C)c1C(C)C
InChIInChI=1S/C11H19NO/c1-6-9-10(7(2)3)11(8(4)5)12-13-9/h7-8H,6H2,1-5H3
InChIKeyDVQPXPFCYWPJHF-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.48
Rot. Bonds3

About 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole

5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole (PubChem CID 121345564) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole
PubChem CID121345564
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCCc1onc(C(C)C)c1C(C)C
InChIInChI=1S/C11H19NO/c1-6-9-10(7(2)3)11(8(4)5)12-13-9/h7-8H,6H2,1-5H3
InChIKeyDVQPXPFCYWPJHF-UHFFFAOYSA-N
XLogP3.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole?
The IUPAC name of 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole (CID 121345564) is 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole?
The canonical SMILES for 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole is CCc1onc(C(C)C)c1C(C)C.
What is the InChIKey of 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole?
The InChIKey is DVQPXPFCYWPJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-9-10(7(2)3)11(8(4)5)12-13-9/h7-8H,6H2,1-5H3.
What are the key properties of 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole?
5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole is sourced from PubChem (CID 121345564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).