2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde

C8H11NO2 — CID 174286882

IUPAC2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde
SMILESC=CC1=NC(C)(C)C(C=O)O1
InChIInChI=1S/C8H11NO2/c1-4-7-9-8(2,3)6(5-10)11-7/h4-6H,1H2,2-3H3
InChIKeyYPARZRPBIFFSOY-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds2

About 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde

2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde (PubChem CID 174286882) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde
PubChem CID174286882
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde
SMILESC=CC1=NC(C)(C)C(C=O)O1
InChIInChI=1S/C8H11NO2/c1-4-7-9-8(2,3)6(5-10)11-7/h4-6H,1H2,2-3H3
InChIKeyYPARZRPBIFFSOY-UHFFFAOYSA-N
XLogP0.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde (CID 174286882) is 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde is C=CC1=NC(C)(C)C(C=O)O1.
What is the InChIKey of 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde?
The InChIKey is YPARZRPBIFFSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-7-9-8(2,3)6(5-10)11-7/h4-6H,1H2,2-3H3.
What are the key properties of 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde?
2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 174286882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).