3-but-3-enyl-5-methyl-1,2-oxazole

C8H11NO — CID 15073752

IUPAC3-but-3-enyl-5-methyl-1,2-oxazole
SMILESC=CCCc1cc(C)on1
InChIInChI=1S/C8H11NO/c1-3-4-5-8-6-7(2)10-9-8/h3,6H,1,4-5H2,2H3
InChIKeyARUZFPGEYBXZCU-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.10
Rot. Bonds3

About 3-but-3-enyl-5-methyl-1,2-oxazole

3-but-3-enyl-5-methyl-1,2-oxazole (PubChem CID 15073752) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-but-3-enyl-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-but-3-enyl-5-methyl-1,2-oxazole
PubChem CID15073752
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-but-3-enyl-5-methyl-1,2-oxazole
SMILESC=CCCc1cc(C)on1
InChIInChI=1S/C8H11NO/c1-3-4-5-8-6-7(2)10-9-8/h3,6H,1,4-5H2,2H3
InChIKeyARUZFPGEYBXZCU-UHFFFAOYSA-N
XLogP2.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.10
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-but-3-enyl-5-methyl-1,2-oxazole?
The IUPAC name of 3-but-3-enyl-5-methyl-1,2-oxazole (CID 15073752) is 3-but-3-enyl-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-but-3-enyl-5-methyl-1,2-oxazole?
The canonical SMILES for 3-but-3-enyl-5-methyl-1,2-oxazole is C=CCCc1cc(C)on1.
What is the InChIKey of 3-but-3-enyl-5-methyl-1,2-oxazole?
The InChIKey is ARUZFPGEYBXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-4-5-8-6-7(2)10-9-8/h3,6H,1,4-5H2,2H3.
What are the key properties of 3-but-3-enyl-5-methyl-1,2-oxazole?
3-but-3-enyl-5-methyl-1,2-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-5-methyl-1,2-oxazole is sourced from PubChem (CID 15073752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).