N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C16H21F3N4O — CID 133479856

IUPACN,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC(C)c1noc(NCC(c2cccc(C(F)(F)F)c2)N(C)C)n1
InChIInChI=1S/C16H21F3N4O/c1-10(2)14-21-15(24-22-14)20-9-13(23(3)4)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,13H,9H2,1-4H3,(H,20,21,22)
InChIKeyOSKCOTOXUATWLD-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.93
Rot. Bonds6

About N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 133479856) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID133479856
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC NameN,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC(C)c1noc(NCC(c2cccc(C(F)(F)F)c2)N(C)C)n1
InChIInChI=1S/C16H21F3N4O/c1-10(2)14-21-15(24-22-14)20-9-13(23(3)4)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,13H,9H2,1-4H3,(H,20,21,22)
InChIKeyOSKCOTOXUATWLD-UHFFFAOYSA-N
XLogP3.93
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479867
4-N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133479841
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 130621708
(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 124711113
N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479938
1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 133351555
N,N-dimethyl-N'-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479843
N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 119056801
N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide
CID 166201585
N-(2-methylpropyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-amine
CID 63084528
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
2-methyl-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3-[3-[3-(trifluoromethyl)phenyl]butyl]guanidine;hydroiodide
CID 111711728

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 133479856) is N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CC(C)c1noc(NCC(c2cccc(C(F)(F)F)c2)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is OSKCOTOXUATWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-10(2)14-21-15(24-22-14)20-9-13(23(3)4)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,13H,9H2,1-4H3,(H,20,21,22).
What are the key properties of N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 342.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 133479856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).