3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde

C10H9NO2 — CID 15122216

IUPAC3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
SMILESO=CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H9NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKeyJFISJRNPAPTNRV-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.38
Rot. Bonds2

About 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde

3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde (PubChem CID 15122216) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
PubChem CID15122216
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
SMILESO=CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H9NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKeyJFISJRNPAPTNRV-UHFFFAOYSA-N
XLogP1.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.38
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 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde (CID 15122216) is 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde is O=CC1CC(c2ccccc2)=NO1.
What is the InChIKey of 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde?
The InChIKey is JFISJRNPAPTNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-5,7,9H,6H2.
What are the key properties of 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde?
3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 15122216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).