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

C11H18F3N3O — CID 79964443

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

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

N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 79964443) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID79964443
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(CCC(F)(F)F)no1)C(C)NC
InChIInChI=1S/C11H18F3N3O/c1-4-8(7(2)15-3)10-16-9(17-18-10)5-6-11(12,13)14/h7-8,15H,4-6H2,1-3H3
InChIKeyBBTKITVGXFCYBH-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-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 79964443) is N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(CCC(F)(F)F)no1)C(C)NC.
What is the InChIKey of N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is BBTKITVGXFCYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-4-8(7(2)15-3)10-16-9(17-18-10)5-6-11(12,13)14/h7-8,15H,4-6H2,1-3H3.
What are the key properties of N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-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-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 79964443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).