5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene

C15H23N3O2 — CID 145061573

IUPAC5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene
SMILESC=C.C=C(/C=C\C)CNC(=O)c1noc(C(C)(C)C)n1
InChIInChI=1S/C13H19N3O2.C2H4/c1-6-7-9(2)8-14-11(17)10-15-12(18-16-10)13(3,4)5;1-2/h6-7H,2,8H2,1,3-5H3,(H,14,17);1-2H2/b7-6-;
InChIKeyRQAXFMSFVFPACM-NAFXZHHSSA-N
MW277.37 g/mol
LogP3.03
Rot. Bonds4

About 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene

5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene (PubChem CID 145061573) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene.

Molecular Properties

Compound Name5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene
PubChem CID145061573
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene
SMILESC=C.C=C(/C=C\C)CNC(=O)c1noc(C(C)(C)C)n1
InChIInChI=1S/C13H19N3O2.C2H4/c1-6-7-9(2)8-14-11(17)10-15-12(18-16-10)13(3,4)5;1-2/h6-7H,2,8H2,1,3-5H3,(H,14,17);1-2H2/b7-6-;
InChIKeyRQAXFMSFVFPACM-NAFXZHHSSA-N
XLogP3.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene?
The IUPAC name of 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene (CID 145061573) is 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene.
What is the SMILES notation for 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene?
The canonical SMILES for 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene is C=C.C=C(/C=C\C)CNC(=O)c1noc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene?
The InChIKey is RQAXFMSFVFPACM-NAFXZHHSSA-N. The full InChI is InChI=1S/C13H19N3O2.C2H4/c1-6-7-9(2)8-14-11(17)10-15-12(18-16-10)13(3,4)5;1-2/h6-7H,2,8H2,1,3-5H3,(H,14,17);1-2H2/b7-6-;.
What are the key properties of 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene?
5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene has a molecular weight of 277.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene is sourced from PubChem (CID 145061573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).