2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide

C15H18F3N5O2 — CID 71559020

IUPAC2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
SMILESCC(C)(CCCCc1noc(C(F)(F)F)n1)C(=O)Nc1ccncn1
InChIInChI=1S/C15H18F3N5O2/c1-14(2,12(24)21-10-6-8-19-9-20-10)7-4-3-5-11-22-13(25-23-11)15(16,17)18/h6,8-9H,3-5,7H2,1-2H3,(H,19,20,21,24)
InChIKeyCWRWABQIWVDFLO-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.26
Rot. Bonds7

About 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide

2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide (PubChem CID 71559020) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
PubChem CID71559020
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
SMILESCC(C)(CCCCc1noc(C(F)(F)F)n1)C(=O)Nc1ccncn1
InChIInChI=1S/C15H18F3N5O2/c1-14(2,12(24)21-10-6-8-19-9-20-10)7-4-3-5-11-22-13(25-23-11)15(16,17)18/h6,8-9H,3-5,7H2,1-2H3,(H,19,20,21,24)
InChIKeyCWRWABQIWVDFLO-UHFFFAOYSA-N
XLogP3.26
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide?
The IUPAC name of 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide (CID 71559020) is 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide.
What is the SMILES notation for 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide?
The canonical SMILES for 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide is CC(C)(CCCCc1noc(C(F)(F)F)n1)C(=O)Nc1ccncn1.
What is the InChIKey of 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide?
The InChIKey is CWRWABQIWVDFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-14(2,12(24)21-10-6-8-19-9-20-10)7-4-3-5-11-22-13(25-23-11)15(16,17)18/h6,8-9H,3-5,7H2,1-2H3,(H,19,20,21,24).
What are the key properties of 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide?
2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide has a molecular weight of 357.34 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pyrimidin-4-yl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide is sourced from PubChem (CID 71559020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).