2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

C11H18F3N5O — CID 79799141

IUPAC2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCN1CCN(C)C(c2noc(C(C)(N)C(F)(F)F)n2)C1
InChIInChI=1S/C11H18F3N5O/c1-10(15,11(12,13)14)9-16-8(17-20-9)7-6-18(2)4-5-19(7)3/h7H,4-6,15H2,1-3H3
InChIKeyVTQYZVLSSSJCND-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.72
Rot. Bonds2

About 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 79799141) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID79799141
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCN1CCN(C)C(c2noc(C(C)(N)C(F)(F)F)n2)C1
InChIInChI=1S/C11H18F3N5O/c1-10(15,11(12,13)14)9-16-8(17-20-9)7-6-18(2)4-5-19(7)3/h7H,4-6,15H2,1-3H3
InChIKeyVTQYZVLSSSJCND-UHFFFAOYSA-N
XLogP0.72
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (CID 79799141) is 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is CN1CCN(C)C(c2noc(C(C)(N)C(F)(F)F)n2)C1.
What is the InChIKey of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is VTQYZVLSSSJCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-10(15,11(12,13)14)9-16-8(17-20-9)7-6-18(2)4-5-19(7)3/h7H,4-6,15H2,1-3H3.
What are the key properties of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 293.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79799141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).