5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane

C11H21N3O2 — CID 145061506

IUPAC5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane
SMILESCC.CCNC(=O)c1noc(C(C)(C)C)n1
InChIInChI=1S/C9H15N3O2.C2H6/c1-5-10-7(13)6-11-8(14-12-6)9(2,3)4;1-2/h5H2,1-4H3,(H,10,13);1-2H3
InChIKeyXCBFCCQCPPHUSU-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.14
Rot. Bonds2

About 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane

5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane (PubChem CID 145061506) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane.

Molecular Properties

Compound Name5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane
PubChem CID145061506
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane
SMILESCC.CCNC(=O)c1noc(C(C)(C)C)n1
InChIInChI=1S/C9H15N3O2.C2H6/c1-5-10-7(13)6-11-8(14-12-6)9(2,3)4;1-2/h5H2,1-4H3,(H,10,13);1-2H3
InChIKeyXCBFCCQCPPHUSU-UHFFFAOYSA-N
XLogP2.14
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane?
The IUPAC name of 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane (CID 145061506) is 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane.
What is the SMILES notation for 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane?
The canonical SMILES for 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane is CC.CCNC(=O)c1noc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane?
The InChIKey is XCBFCCQCPPHUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.C2H6/c1-5-10-7(13)6-11-8(14-12-6)9(2,3)4;1-2/h5H2,1-4H3,(H,10,13);1-2H3.
What are the key properties of 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane?
5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane has a molecular weight of 227.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethyl-1,2,4-oxadiazole-3-carboxamide;ethane is sourced from PubChem (CID 145061506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).