3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde

C8H10N2O2 — CID 63772691

IUPAC3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=Cc1nc(C2CCCC2)no1
InChIInChI=1S/C8H10N2O2/c11-5-7-9-8(10-12-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyBBDQFIIOXVMSLG-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.54
Rot. Bonds2

About 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde

3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 63772691) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID63772691
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=Cc1nc(C2CCCC2)no1
InChIInChI=1S/C8H10N2O2/c11-5-7-9-8(10-12-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyBBDQFIIOXVMSLG-UHFFFAOYSA-N
XLogP1.54
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde (CID 63772691) is 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde is O=Cc1nc(C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is BBDQFIIOXVMSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-5-7-9-8(10-12-7)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde?
3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 63772691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).