3-cyclobutyl-1,2-oxazole-5-carbaldehyde

C8H9NO2 — CID 14366567

IUPAC3-cyclobutyl-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(C2CCC2)no1
InChIInChI=1S/C8H9NO2/c10-5-7-4-8(9-11-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyQYGRFWYIAYZBFX-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.75
Rot. Bonds2

About 3-cyclobutyl-1,2-oxazole-5-carbaldehyde

3-cyclobutyl-1,2-oxazole-5-carbaldehyde (PubChem CID 14366567) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-cyclobutyl-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-cyclobutyl-1,2-oxazole-5-carbaldehyde
PubChem CID14366567
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name3-cyclobutyl-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(C2CCC2)no1
InChIInChI=1S/C8H9NO2/c10-5-7-4-8(9-11-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyQYGRFWYIAYZBFX-UHFFFAOYSA-N
XLogP1.75
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-1,2-oxazole-5-carbaldehyde
CID 11367267
3-(Propan-2-yl)-1,2-oxazole-5-carbaldehyde
CID 14366561
3-Tert-butyl-1,2-oxazole-5-carbaldehyde
CID 14366563
3-Cyclopropyl-1,2-oxazole-5-carbaldehyde
CID 14366566
5-(Propan-2-yl)-1,2-oxazole-3-carbaldehyde
CID 14439322
3-Cyclopentylisoxazole-5-carbaldehyde
CID 14366568
5-Cyclopropyl-1,2-oxazole-3-carbaldehyde
CID 83815081
5-(Chloromethyl)-3-cyclobutyl-1,2-oxazole
CID 130517104
3-Cyclohexylisoxazole-5-carboxylic acid
CID 6484168
3-Isobutylisoxazole-5-carbaldehyde
CID 14366562
3-(Tetrahydrofuran-3-yl)isoxazole-5-carbaldehyde
CID 14439320
5-(Bromomethyl)-3-cyclobutyl-1,2-oxazole
CID 80487134

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-cyclobutyl-1,2-oxazole-5-carbaldehyde (CID 14366567) is 3-cyclobutyl-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-cyclobutyl-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-cyclobutyl-1,2-oxazole-5-carbaldehyde is O=Cc1cc(C2CCC2)no1.
What is the InChIKey of 3-cyclobutyl-1,2-oxazole-5-carbaldehyde?
The InChIKey is QYGRFWYIAYZBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-5-7-4-8(9-11-7)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 3-cyclobutyl-1,2-oxazole-5-carbaldehyde?
3-cyclobutyl-1,2-oxazole-5-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 14366567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).