2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

C9H14F3N3O — CID 62137966

IUPAC2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C9H14F3N3O/c1-8(2,3)13-5-7-15-14-6(16-7)4-9(10,11)12/h13H,4-5H2,1-3H3
InChIKeyLUPUNCPOKZGMJF-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62137966) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62137966
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C9H14F3N3O/c1-8(2,3)13-5-7-15-14-6(16-7)4-9(10,11)12/h13H,4-5H2,1-3H3
InChIKeyLUPUNCPOKZGMJF-UHFFFAOYSA-N
XLogP2.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N'-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethane-1,2-diamine
CID 70458407
(R)-tert-butyl (1-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
CID 59438763
tert-butyl N-[1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 68480393
N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 83959787
1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine
CID 176761360
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136861
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137035
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137238
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137733
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137936
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62138111
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62137966) is 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is LUPUNCPOKZGMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-8(2,3)13-5-7-15-14-6(16-7)4-9(10,11)12/h13H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62137966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).