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

C10H9NO2 — CID 54246867

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde
SMILESO=Cc1ccccc1C1=NCCO1
InChIInChI=1S/C10H9NO2/c12-7-8-3-1-2-4-9(8)10-11-5-6-13-10/h1-4,7H,5-6H2
InChIKeySHEJLFVWASLURT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds2

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

2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde (PubChem CID 54246867) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde
PubChem CID54246867
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde
SMILESO=Cc1ccccc1C1=NCCO1
InChIInChI=1S/C10H9NO2/c12-7-8-3-1-2-4-9(8)10-11-5-6-13-10/h1-4,7H,5-6H2
InChIKeySHEJLFVWASLURT-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde (CID 54246867) is 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde is O=Cc1ccccc1C1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde?
The InChIKey is SHEJLFVWASLURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-7-8-3-1-2-4-9(8)10-11-5-6-13-10/h1-4,7H,5-6H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde?
2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)benzaldehyde is sourced from PubChem (CID 54246867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).