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

C9H17N3O — CID 142063662

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C9H17N3O/c1-9(2,3)8-10-7(11-13-8)6-12(4)5/h6H2,1-5H3
InChIKeyBMNHOYLTCGIJPY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.43
Rot. Bonds2

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

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine (PubChem CID 142063662) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine
PubChem CID142063662
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C9H17N3O/c1-9(2,3)8-10-7(11-13-8)6-12(4)5/h6H2,1-5H3
InChIKeyBMNHOYLTCGIJPY-UHFFFAOYSA-N
XLogP1.43
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.43
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?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine (CID 142063662) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine is 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?
The InChIKey is BMNHOYLTCGIJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)8-10-7(11-13-8)6-12(4)5/h6H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.43, 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 is sourced from PubChem (CID 142063662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).