3-(2-methylprop-2-enyl)-2H-1,3-oxazole

C7H11NO — CID 54469137

IUPAC3-(2-methylprop-2-enyl)-2H-1,3-oxazole
SMILESC=C(C)CN1C=COC1
InChIInChI=1S/C7H11NO/c1-7(2)5-8-3-4-9-6-8/h3-4H,1,5-6H2,2H3
InChIKeyUJLKYCFOHTXPQU-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.32
Rot. Bonds2

About 3-(2-methylprop-2-enyl)-2H-1,3-oxazole

3-(2-methylprop-2-enyl)-2H-1,3-oxazole (PubChem CID 54469137) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-2H-1,3-oxazole.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-2H-1,3-oxazole
PubChem CID54469137
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-(2-methylprop-2-enyl)-2H-1,3-oxazole
SMILESC=C(C)CN1C=COC1
InChIInChI=1S/C7H11NO/c1-7(2)5-8-3-4-9-6-8/h3-4H,1,5-6H2,2H3
InChIKeyUJLKYCFOHTXPQU-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)-2H-1,3-oxazole?
The IUPAC name of 3-(2-methylprop-2-enyl)-2H-1,3-oxazole (CID 54469137) is 3-(2-methylprop-2-enyl)-2H-1,3-oxazole.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-2H-1,3-oxazole?
The canonical SMILES for 3-(2-methylprop-2-enyl)-2H-1,3-oxazole is C=C(C)CN1C=COC1.
What is the InChIKey of 3-(2-methylprop-2-enyl)-2H-1,3-oxazole?
The InChIKey is UJLKYCFOHTXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(2)5-8-3-4-9-6-8/h3-4H,1,5-6H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)-2H-1,3-oxazole?
3-(2-methylprop-2-enyl)-2H-1,3-oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-2H-1,3-oxazole is sourced from PubChem (CID 54469137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).