5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide

C8H12N4O2 — CID 146826444

IUPAC5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCNCNC(=O)c1noc(C2CC2)n1
InChIInChI=1S/C8H12N4O2/c1-9-4-10-7(13)6-11-8(14-12-6)5-2-3-5/h5,9H,2-4H2,1H3,(H,10,13)
InChIKeySDBJFMMZGCKZJK-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.15
Rot. Bonds4

About 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide

5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146826444) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID146826444
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCNCNC(=O)c1noc(C2CC2)n1
InChIInChI=1S/C8H12N4O2/c1-9-4-10-7(13)6-11-8(14-12-6)5-2-3-5/h5,9H,2-4H2,1H3,(H,10,13)
InChIKeySDBJFMMZGCKZJK-UHFFFAOYSA-N
XLogP-0.15
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide (CID 146826444) is 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide is CNCNC(=O)c1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SDBJFMMZGCKZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-9-4-10-7(13)6-11-8(14-12-6)5-2-3-5/h5,9H,2-4H2,1H3,(H,10,13).
What are the key properties of 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide?
5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146826444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).