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

C9H14F3N3O2 — CID 63350463

IUPAC1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(COC)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O2/c1-13-6(5-16-2)3-8-14-7(15-17-8)4-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyYPVMVUCBURVJJK-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.95
Rot. Bonds6

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

1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63350463) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63350463
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(COC)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O2/c1-13-6(5-16-2)3-8-14-7(15-17-8)4-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyYPVMVUCBURVJJK-UHFFFAOYSA-N
XLogP0.95
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63350463) is 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(COC)Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is YPVMVUCBURVJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-13-6(5-16-2)3-8-14-7(15-17-8)4-9(10,11)12/h6,13H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 253.22 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63350463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).