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

C9H17N3O — CID 89027363

IUPAC1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H17N3O/c1-9(2,3)8-11-10-7(13-8)6-12(4)5/h6H2,1-5H3
InChIKeyBYCXNZWMXLXFKO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.43
Rot. Bonds2

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

1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine (PubChem CID 89027363) 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,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine
PubChem CID89027363
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H17N3O/c1-9(2,3)8-11-10-7(13-8)6-12(4)5/h6H2,1-5H3
InChIKeyBYCXNZWMXLXFKO-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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Related Compounds

1-[4-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 45814167
1-[4-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45814175
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide
CID 34549633
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylethanamine
CID 51078454
(But-2-yn-1-yl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl](prop-2-yn-1-yl)amine
CID 71869571
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 72017268
1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine
CID 131089054
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylcyclopentanamine
CID 45881605
1-(5-Ethyl-1,3,4-oxadiazol-2-YL)-N-methylmethanamine
CID 28063876
N-ethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 57940561
2-[5-[(Dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile
CID 59977619
N-methyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine
CID 62138660

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine (CID 89027363) is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is BYCXNZWMXLXFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)8-11-10-7(13-8)6-12(4)5/h6H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine?
1-(5-tert-butyl-1,3,4-oxadiazol-2-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-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 89027363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).