2,5-dimethyl-4-prop-2-enyl-1,3-oxazole

C8H11NO — CID 15176130

IUPAC2,5-dimethyl-4-prop-2-enyl-1,3-oxazole
SMILESC=CCc1nc(C)oc1C
InChIInChI=1S/C8H11NO/c1-4-5-8-6(2)10-7(3)9-8/h4H,1,5H2,2-3H3
InChIKeyIVGJGSLNGBMGQH-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.02
Rot. Bonds2

About 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole

2,5-dimethyl-4-prop-2-enyl-1,3-oxazole (PubChem CID 15176130) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-prop-2-enyl-1,3-oxazole
PubChem CID15176130
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,5-dimethyl-4-prop-2-enyl-1,3-oxazole
SMILESC=CCc1nc(C)oc1C
InChIInChI=1S/C8H11NO/c1-4-5-8-6(2)10-7(3)9-8/h4H,1,5H2,2-3H3
InChIKeyIVGJGSLNGBMGQH-UHFFFAOYSA-N
XLogP2.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.02
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 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole (CID 15176130) is 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole is C=CCc1nc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole?
The InChIKey is IVGJGSLNGBMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-4-5-8-6(2)10-7(3)9-8/h4H,1,5H2,2-3H3.
What are the key properties of 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole?
2,5-dimethyl-4-prop-2-enyl-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-prop-2-enyl-1,3-oxazole is sourced from PubChem (CID 15176130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).