5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide

C7H9N3O2 — CID 64590413

IUPAC5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide
SMILESC=CCNC(=O)c1noc(C)n1
InChIInChI=1S/C7H9N3O2/c1-3-4-8-7(11)6-9-5(2)12-10-6/h3H,1,4H2,2H3,(H,8,11)
InChIKeyIXZYATQZDYRMBO-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.29
Rot. Bonds3

About 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide

5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 64590413) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID64590413
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide
SMILESC=CCNC(=O)c1noc(C)n1
InChIInChI=1S/C7H9N3O2/c1-3-4-8-7(11)6-9-5(2)12-10-6/h3H,1,4H2,2H3,(H,8,11)
InChIKeyIXZYATQZDYRMBO-UHFFFAOYSA-N
XLogP0.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide (CID 64590413) is 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide is C=CCNC(=O)c1noc(C)n1.
What is the InChIKey of 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IXZYATQZDYRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-3-4-8-7(11)6-9-5(2)12-10-6/h3H,1,4H2,2H3,(H,8,11).
What are the key properties of 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide?
5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 167.17 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 64590413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).