N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C11H18F3N3O2 — CID 79964779

IUPACN-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(COC)Cc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-3-15-8(7-18-2)6-10-16-9(17-19-10)4-5-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyADBGKKDWSORQBW-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.73
Rot. Bonds8

About N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79964779) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79964779
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(COC)Cc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-3-15-8(7-18-2)6-10-16-9(17-19-10)4-5-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyADBGKKDWSORQBW-UHFFFAOYSA-N
XLogP1.73
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79964779) is N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(COC)Cc1nc(CCC(F)(F)F)no1.
What is the InChIKey of N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is ADBGKKDWSORQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-3-15-8(7-18-2)6-10-16-9(17-19-10)4-5-11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 281.28 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79964779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).