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

C9H17N3O — CID 62163741

IUPAC1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H17N3O/c1-6(10-5)7-11-12-8(13-7)9(2,3)4/h6,10H,1-5H3
InChIKeyGZIGXGMTTRSIGU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.65
Rot. Bonds2

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

1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine (PubChem CID 62163741) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
PubChem CID62163741
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H17N3O/c1-6(10-5)7-11-12-8(13-7)9(2,3)4/h6,10H,1-5H3
InChIKeyGZIGXGMTTRSIGU-UHFFFAOYSA-N
XLogP1.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine (CID 62163741) is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine is CNC(C)c1nnc(C(C)(C)C)o1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine?
The InChIKey is GZIGXGMTTRSIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(10-5)7-11-12-8(13-7)9(2,3)4/h6,10H,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine?
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 62163741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).