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

C10H16F3N3O — CID 59777406

IUPAC2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine
SMILESCCC(NC(C)(C)C)c1nc(C(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c1-5-6(15-9(2,3)4)7-14-8(16-17-7)10(11,12)13/h6,15H,5H2,1-4H3
InChIKeyDSYILQJHQHNTKH-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.93
Rot. Bonds3

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

2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine (PubChem CID 59777406) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine
PubChem CID59777406
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine
SMILESCCC(NC(C)(C)C)c1nc(C(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c1-5-6(15-9(2,3)4)7-14-8(16-17-7)10(11,12)13/h6,15H,5H2,1-4H3
InChIKeyDSYILQJHQHNTKH-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine (CID 59777406) is 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine is CCC(NC(C)(C)C)c1nc(C(F)(F)F)no1.
What is the InChIKey of 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine?
The InChIKey is DSYILQJHQHNTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-5-6(15-9(2,3)4)7-14-8(16-17-7)10(11,12)13/h6,15H,5H2,1-4H3.
What are the key properties of 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine?
2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine is sourced from PubChem (CID 59777406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).