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

C11H18F3N3O — CID 55039272

IUPAC2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C11H18F3N3O/c1-10(2,3)15-6-4-5-8-16-17-9(18-8)7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyYSAMSHYPARWKNB-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.50
Rot. Bonds5

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

2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine (PubChem CID 55039272) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
PubChem CID55039272
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C11H18F3N3O/c1-10(2,3)15-6-4-5-8-16-17-9(18-8)7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyYSAMSHYPARWKNB-UHFFFAOYSA-N
XLogP2.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine (CID 55039272) is 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine is CC(C)(C)NCCCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The InChIKey is YSAMSHYPARWKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-10(2,3)15-6-4-5-8-16-17-9(18-8)7-11(12,13)14/h15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine is sourced from PubChem (CID 55039272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).