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

C8H13NO — CID 70596579

IUPAC2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole
SMILESC=CCN1C(C)=COC1C
InChIInChI=1S/C8H13NO/c1-4-5-9-7(2)6-10-8(9)3/h4,6,8H,1,5H2,2-3H3
InChIKeyVAFQEZWKCOAEFM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds2

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

2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole (PubChem CID 70596579) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole
PubChem CID70596579
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole
SMILESC=CCN1C(C)=COC1C
InChIInChI=1S/C8H13NO/c1-4-5-9-7(2)6-10-8(9)3/h4,6,8H,1,5H2,2-3H3
InChIKeyVAFQEZWKCOAEFM-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.71
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 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole (CID 70596579) is 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole is C=CCN1C(C)=COC1C.
What is the InChIKey of 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole?
The InChIKey is VAFQEZWKCOAEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-9-7(2)6-10-8(9)3/h4,6,8H,1,5H2,2-3H3.
What are the key properties of 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole?
2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole is sourced from PubChem (CID 70596579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).