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

C11H18F3N3O — CID 63349880

IUPACN-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCCNC(C)C(C)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c1-4-5-15-8(3)7(2)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,4-6H2,1-3H3
InChIKeyJLBFAGPHMYNWAJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.67
Rot. Bonds6

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

N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63349880) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63349880
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCCNC(C)C(C)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c1-4-5-15-8(3)7(2)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,4-6H2,1-3H3
InChIKeyJLBFAGPHMYNWAJ-UHFFFAOYSA-N
XLogP2.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63349880) is N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCCNC(C)C(C)c1nc(CC(F)(F)F)no1.
What is the InChIKey of N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is JLBFAGPHMYNWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-4-5-15-8(3)7(2)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,4-6H2,1-3H3.
What are the key properties of N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63349880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).