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

C11H18F3N3O — CID 63349922

IUPACN,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCNC(C)C(c1nc(CC(F)(F)F)no1)C(C)C
InChIInChI=1S/C11H18F3N3O/c1-6(2)9(7(3)15-4)10-16-8(17-18-10)5-11(12,13)14/h6-7,9,15H,5H2,1-4H3
InChIKeySCTVKAYCECWFHG-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.52
Rot. Bonds5

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

N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63349922) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63349922
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCNC(C)C(c1nc(CC(F)(F)F)no1)C(C)C
InChIInChI=1S/C11H18F3N3O/c1-6(2)9(7(3)15-4)10-16-8(17-18-10)5-11(12,13)14/h6-7,9,15H,5H2,1-4H3
InChIKeySCTVKAYCECWFHG-UHFFFAOYSA-N
XLogP2.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63349922) is N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CNC(C)C(c1nc(CC(F)(F)F)no1)C(C)C.
What is the InChIKey of N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is SCTVKAYCECWFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-6(2)9(7(3)15-4)10-16-8(17-18-10)5-11(12,13)14/h6-7,9,15H,5H2,1-4H3.
What are the key properties of N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63349922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).