2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole

C13H19NO2 — CID 159358183

IUPAC2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1ccco1.CC(C)c1ccon1
InChIInChI=1S/C7H10O.C6H9NO/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-8-7-6/h3-6H,1-2H3;3-5H,1-2H3
InChIKeyLIEQLBMBIWCUFF-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.20
Rot. Bonds2

About 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole

2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole (PubChem CID 159358183) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole
PubChem CID159358183
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1ccco1.CC(C)c1ccon1
InChIInChI=1S/C7H10O.C6H9NO/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-8-7-6/h3-6H,1-2H3;3-5H,1-2H3
InChIKeyLIEQLBMBIWCUFF-UHFFFAOYSA-N
XLogP4.20
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-ylfuran;3-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 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole?
The IUPAC name of 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole (CID 159358183) is 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole is CC(C)c1ccco1.CC(C)c1ccon1.
What is the InChIKey of 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole?
The InChIKey is LIEQLBMBIWCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C6H9NO/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-8-7-6/h3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole?
2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole has a molecular weight of 221.30 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 159358183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).