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

C10H16F3N3O — CID 55043788

IUPAC2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O/c1-9(2,3)14-5-4-7-15-16-8(17-7)6-10(11,12)13/h14H,4-6H2,1-3H3
InChIKeyXKNIGLYEOQZULF-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.11
Rot. Bonds4

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

2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 55043788) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID55043788
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O/c1-9(2,3)14-5-4-7-15-16-8(17-7)6-10(11,12)13/h14H,4-6H2,1-3H3
InChIKeyXKNIGLYEOQZULF-UHFFFAOYSA-N
XLogP2.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 55043788) is 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)(C)NCCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is XKNIGLYEOQZULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-9(2,3)14-5-4-7-15-16-8(17-7)6-10(11,12)13/h14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 55043788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).