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

C10H16F3N3O — CID 59777447

IUPAC2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine
SMILESCc1noc(CC(NC(C)(C)C)C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-6-14-8(17-16-6)5-7(10(11,12)13)15-9(2,3)4/h7,15H,5H2,1-4H3
InChIKeyINGXGEXQAVMACN-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.24
Rot. Bonds3

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

2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine (PubChem CID 59777447) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine
PubChem CID59777447
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine
SMILESCc1noc(CC(NC(C)(C)C)C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-6-14-8(17-16-6)5-7(10(11,12)13)15-9(2,3)4/h7,15H,5H2,1-4H3
InChIKeyINGXGEXQAVMACN-UHFFFAOYSA-N
XLogP2.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine (CID 59777447) is 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine is Cc1noc(CC(NC(C)(C)C)C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine?
The InChIKey is INGXGEXQAVMACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-6-14-8(17-16-6)5-7(10(11,12)13)15-9(2,3)4/h7,15H,5H2,1-4H3.
What are the key properties of 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine?
2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine is sourced from PubChem (CID 59777447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).