1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one

C10H14F3N3O2 — CID 15613844

IUPAC1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one
SMILESCC(CC(=O)Cc1noc(N(C)C)n1)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-6(10(11,12)13)4-7(17)5-8-14-9(16(2)3)18-15-8/h6H,4-5H2,1-3H3
InChIKeyKDLSLPQGPQZQEN-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.84
Rot. Bonds5

About 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one

1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one (PubChem CID 15613844) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one
PubChem CID15613844
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one
SMILESCC(CC(=O)Cc1noc(N(C)C)n1)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-6(10(11,12)13)4-7(17)5-8-14-9(16(2)3)18-15-8/h6H,4-5H2,1-3H3
InChIKeyKDLSLPQGPQZQEN-UHFFFAOYSA-N
XLogP1.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one?
The IUPAC name of 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one (CID 15613844) is 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one.
What is the SMILES notation for 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one?
The canonical SMILES for 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one is CC(CC(=O)Cc1noc(N(C)C)n1)C(F)(F)F.
What is the InChIKey of 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one?
The InChIKey is KDLSLPQGPQZQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6(10(11,12)13)4-7(17)5-8-14-9(16(2)3)18-15-8/h6H,4-5H2,1-3H3.
What are the key properties of 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one?
1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one has a molecular weight of 265.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-5,5,5-trifluoro-4-methylpentan-2-one is sourced from PubChem (CID 15613844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).