2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole

C12H19NO — CID 22952184

IUPAC2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)=C(C)/C=C/C1=NC(C)C(C)O1
InChIInChI=1S/C12H19NO/c1-8(2)9(3)6-7-12-13-10(4)11(5)14-12/h6-7,10-11H,1-5H3/b7-6+
InChIKeyNCXLBJOLXFMHKG-VOTSOKGWSA-N
MW193.29 g/mol
LogP3.10
Rot. Bonds2

About 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole

2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole (PubChem CID 22952184) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole
PubChem CID22952184
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)=C(C)/C=C/C1=NC(C)C(C)O1
InChIInChI=1S/C12H19NO/c1-8(2)9(3)6-7-12-13-10(4)11(5)14-12/h6-7,10-11H,1-5H3/b7-6+
InChIKeyNCXLBJOLXFMHKG-VOTSOKGWSA-N
XLogP3.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-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 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole (CID 22952184) is 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole is CC(C)=C(C)/C=C/C1=NC(C)C(C)O1.
What is the InChIKey of 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NCXLBJOLXFMHKG-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)9(3)6-7-12-13-10(4)11(5)14-12/h6-7,10-11H,1-5H3/b7-6+.
What are the key properties of 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole?
2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-3,4-dimethylpenta-1,3-dienyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22952184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).