2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde

C11H11NO2 — CID 151995500

IUPAC2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde
SMILESO=CCC1=NOC(c2ccccc2)C1
InChIInChI=1S/C11H11NO2/c13-7-6-10-8-11(14-12-10)9-4-2-1-3-5-9/h1-5,7,11H,6,8H2
InChIKeyUFOPDGFEWMFDKU-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.09
Rot. Bonds3

About 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde

2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde (PubChem CID 151995500) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde
PubChem CID151995500
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde
SMILESO=CCC1=NOC(c2ccccc2)C1
InChIInChI=1S/C11H11NO2/c13-7-6-10-8-11(14-12-10)9-4-2-1-3-5-9/h1-5,7,11H,6,8H2
InChIKeyUFOPDGFEWMFDKU-UHFFFAOYSA-N
XLogP2.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.09
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-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde?
The IUPAC name of 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde (CID 151995500) is 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde is O=CCC1=NOC(c2ccccc2)C1.
What is the InChIKey of 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde?
The InChIKey is UFOPDGFEWMFDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-7-6-10-8-11(14-12-10)9-4-2-1-3-5-9/h1-5,7,11H,6,8H2.
What are the key properties of 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde?
2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde has a molecular weight of 189.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde is sourced from PubChem (CID 151995500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).