1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane

C11H23N3O — CID 142063661

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C9H17N3O.C2H6/c1-9(2,3)8-10-7(11-13-8)6-12(4)5;1-2/h6H2,1-5H3;1-2H3
InChIKeyIDIFMUWAPWLRMX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.45
Rot. Bonds2

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane (PubChem CID 142063661) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane
PubChem CID142063661
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C9H17N3O.C2H6/c1-9(2,3)8-10-7(11-13-8)6-12(4)5;1-2/h6H2,1-5H3;1-2H3
InChIKeyIDIFMUWAPWLRMX-UHFFFAOYSA-N
XLogP2.45
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane (CID 142063661) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane is CC.CN(C)Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane?
The InChIKey is IDIFMUWAPWLRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.C2H6/c1-9(2,3)8-10-7(11-13-8)6-12(4)5;1-2/h6H2,1-5H3;1-2H3.
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane has a molecular weight of 213.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 142063661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).