5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C11H11ClF3N5O — CID 133487649

IUPAC5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CNc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H11ClF3N5O/c1-20(2)10-18-8(21-19-10)5-17-9-7(12)3-6(4-16-9)11(13,14)15/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyCLWCTUUBFXXSIE-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.81
Rot. Bonds4

About 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 133487649) has the molecular formula C11H11ClF3N5O and a molecular weight of 321.69 g/mol. Its IUPAC name is 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID133487649
Molecular FormulaC11H11ClF3N5O
Molecular Weight321.69 g/mol
Exact Mass321.06
IUPAC Name5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CNc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H11ClF3N5O/c1-20(2)10-18-8(21-19-10)5-17-9-7(12)3-6(4-16-9)11(13,14)15/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyCLWCTUUBFXXSIE-UHFFFAOYSA-N
XLogP2.81
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine 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 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 133487649) is 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CNc2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is CLWCTUUBFXXSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5O/c1-20(2)10-18-8(21-19-10)5-17-9-7(12)3-6(4-16-9)11(13,14)15/h3-4H,5H2,1-2H3,(H,16,17).
What are the key properties of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 321.69 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133487649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).