2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole

C11H15NO — CID 143346683

IUPAC2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole
SMILESC=C(/C=C\c1nc(C)oc1C)CC
InChIInChI=1S/C11H15NO/c1-5-8(2)6-7-11-9(3)13-10(4)12-11/h6-7H,2,5H2,1,3-4H3/b7-6-
InChIKeyHOWBZCFEYSIFEH-SREVYHEPSA-N
MW177.25 g/mol
LogP3.27
Rot. Bonds3

About 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole

2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole (PubChem CID 143346683) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole
PubChem CID143346683
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole
SMILESC=C(/C=C\c1nc(C)oc1C)CC
InChIInChI=1S/C11H15NO/c1-5-8(2)6-7-11-9(3)13-10(4)12-11/h6-7H,2,5H2,1,3-4H3/b7-6-
InChIKeyHOWBZCFEYSIFEH-SREVYHEPSA-N
XLogP3.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole (CID 143346683) is 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole is C=C(/C=C\c1nc(C)oc1C)CC.
What is the InChIKey of 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole?
The InChIKey is HOWBZCFEYSIFEH-SREVYHEPSA-N. The full InChI is InChI=1S/C11H15NO/c1-5-8(2)6-7-11-9(3)13-10(4)12-11/h6-7H,2,5H2,1,3-4H3/b7-6-.
What are the key properties of 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole?
2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole has a molecular weight of 177.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole is sourced from PubChem (CID 143346683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).