3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde

C5H7N3O2 — CID 116799781

IUPAC3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde
SMILESCN(C)c1noc(C=O)n1
InChIInChI=1S/C5H7N3O2/c1-8(2)5-6-4(3-9)10-7-5/h3H,1-2H3
InChIKeyFQSJQPWHUTWNKS-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.05
Rot. Bonds2

About 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde

3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 116799781) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID116799781
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde
SMILESCN(C)c1noc(C=O)n1
InChIInChI=1S/C5H7N3O2/c1-8(2)5-6-4(3-9)10-7-5/h3H,1-2H3
InChIKeyFQSJQPWHUTWNKS-UHFFFAOYSA-N
XLogP-0.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde (CID 116799781) is 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde is CN(C)c1noc(C=O)n1.
What is the InChIKey of 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is FQSJQPWHUTWNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8(2)5-6-4(3-9)10-7-5/h3H,1-2H3.
What are the key properties of 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde?
3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 141.13 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 116799781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).