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

C9H8N2O2 — CID 174487474

IUPAC5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=CC1NN=C(c2ccccc2)O1
InChIInChI=1S/C9H8N2O2/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-6,8,10H
InChIKeyMTYVUGQFGTYJOC-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.49
Rot. Bonds2

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

5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde (PubChem CID 174487474) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde
PubChem CID174487474
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=CC1NN=C(c2ccccc2)O1
InChIInChI=1S/C9H8N2O2/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-6,8,10H
InChIKeyMTYVUGQFGTYJOC-UHFFFAOYSA-N
XLogP0.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde 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 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde?
The IUPAC name of 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde (CID 174487474) is 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde.
What is the SMILES notation for 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde?
The canonical SMILES for 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde is O=CC1NN=C(c2ccccc2)O1.
What is the InChIKey of 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde?
The InChIKey is MTYVUGQFGTYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-6,8,10H.
What are the key properties of 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde?
5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde has a molecular weight of 176.18 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde is sourced from PubChem (CID 174487474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).