4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole

C9H15NO — CID 58926427

IUPAC4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole
SMILESCC(C)=C1OCN=C1C(C)C
InChIInChI=1S/C9H15NO/c1-6(2)8-9(7(3)4)11-5-10-8/h6H,5H2,1-4H3
InChIKeyFMUMFCLLVSZPJQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.37
Rot. Bonds1

About 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole

4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole (PubChem CID 58926427) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole
PubChem CID58926427
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole
SMILESCC(C)=C1OCN=C1C(C)C
InChIInChI=1S/C9H15NO/c1-6(2)8-9(7(3)4)11-5-10-8/h6H,5H2,1-4H3
InChIKeyFMUMFCLLVSZPJQ-UHFFFAOYSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-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 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole (CID 58926427) is 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole is CC(C)=C1OCN=C1C(C)C.
What is the InChIKey of 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole?
The InChIKey is FMUMFCLLVSZPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)8-9(7(3)4)11-5-10-8/h6H,5H2,1-4H3.
What are the key properties of 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole?
4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole is sourced from PubChem (CID 58926427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).