1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine

C15H15F6N3O — CID 71731532

IUPAC1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nnc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H15F6N3O/c1-13(2,22)7-12-24-23-11(25-12)5-8-3-9(14(16,17)18)6-10(4-8)15(19,20)21/h3-4,6H,5,7,22H2,1-2H3
InChIKeyUFKZXUBZUSPHAT-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.98
Rot. Bonds4

About 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine

1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine (PubChem CID 71731532) has the molecular formula C15H15F6N3O and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine
PubChem CID71731532
Molecular FormulaC15H15F6N3O
Molecular Weight367.29 g/mol
Exact Mass367.11
IUPAC Name1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nnc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H15F6N3O/c1-13(2,22)7-12-24-23-11(25-12)5-8-3-9(14(16,17)18)6-10(4-8)15(19,20)21/h3-4,6H,5,7,22H2,1-2H3
InChIKeyUFKZXUBZUSPHAT-UHFFFAOYSA-N
XLogP3.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine (CID 71731532) is 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine is CC(C)(N)Cc1nnc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1.
What is the InChIKey of 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine?
The InChIKey is UFKZXUBZUSPHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6N3O/c1-13(2,22)7-12-24-23-11(25-12)5-8-3-9(14(16,17)18)6-10(4-8)15(19,20)21/h3-4,6H,5,7,22H2,1-2H3.
What are the key properties of 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine?
1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine has a molecular weight of 367.29 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 71731532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).