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

C9H15F3N4O2 — CID 103211824

IUPACN',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C9H15F3N4O2/c1-16(2)3-6(13)8-14-7(18-15-8)4-17-5-9(10,11)12/h6H,3-5,13H2,1-2H3
InChIKeyNJHKRJVLNNAZLW-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.71
Rot. Bonds6

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

N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 103211824) has the molecular formula C9H15F3N4O2 and a molecular weight of 268.24 g/mol. Its IUPAC name is N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID103211824
Molecular FormulaC9H15F3N4O2
Molecular Weight268.24 g/mol
Exact Mass268.11
IUPAC NameN',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C9H15F3N4O2/c1-16(2)3-6(13)8-14-7(18-15-8)4-17-5-9(10,11)12/h6H,3-5,13H2,1-2H3
InChIKeyNJHKRJVLNNAZLW-UHFFFAOYSA-N
XLogP0.71
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]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

1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104879987
N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635213
2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211816
N',N'-dimethyl-1-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635083
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635196
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635365
1-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635319
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635343
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103472753
1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 103212032

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 103211824) is N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CN(C)CC(N)c1noc(COCC(F)(F)F)n1.
What is the InChIKey of N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is NJHKRJVLNNAZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2/c1-16(2)3-6(13)8-14-7(18-15-8)4-17-5-9(10,11)12/h6H,3-5,13H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 268.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 103211824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).