5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde

C8H11N3O2 — CID 115077969

IUPAC5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde
SMILESO=Cc1noc(C2CCCCN2)n1
InChIInChI=1S/C8H11N3O2/c12-5-7-10-8(13-11-7)6-3-1-2-4-9-6/h5-6,9H,1-4H2
InChIKeyPHULTJSCRSGZRL-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.70
Rot. Bonds2

About 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde

5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde (PubChem CID 115077969) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde.

Molecular Properties

Compound Name5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde
PubChem CID115077969
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde
SMILESO=Cc1noc(C2CCCCN2)n1
InChIInChI=1S/C8H11N3O2/c12-5-7-10-8(13-11-7)6-3-1-2-4-9-6/h5-6,9H,1-4H2
InChIKeyPHULTJSCRSGZRL-UHFFFAOYSA-N
XLogP0.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
2-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)acetaldehyde
CID 115077838
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637
3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915206
N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
CID 116806371
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751
3-(methylsulfanylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94552140
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde?
The IUPAC name of 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde (CID 115077969) is 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde.
What is the SMILES notation for 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde?
The canonical SMILES for 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde is O=Cc1noc(C2CCCCN2)n1.
What is the InChIKey of 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde?
The InChIKey is PHULTJSCRSGZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-5-7-10-8(13-11-7)6-3-1-2-4-9-6/h5-6,9H,1-4H2.
What are the key properties of 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde?
5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde is sourced from PubChem (CID 115077969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).