diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium

C16H20F3N4O2+ — CID 7343077

IUPACdiethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C16H19F3N4O2/c1-3-23(4-2)10-9-20-14(24)15-21-13(22-25-15)11-5-7-12(8-6-11)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)/p+1
InChIKeyVNZFNOXBSXJDFA-UHFFFAOYSA-O
MW357.36 g/mol
LogP1.41
Rot. Bonds7

About diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium

diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium (PubChem CID 7343077) has the molecular formula C16H20F3N4O2+ and a molecular weight of 357.36 g/mol. Its IUPAC name is diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium
PubChem CID7343077
Molecular FormulaC16H20F3N4O2+
Molecular Weight357.36 g/mol
Exact Mass357.15
IUPAC Namediethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C16H19F3N4O2/c1-3-23(4-2)10-9-20-14(24)15-21-13(22-25-15)11-5-7-12(8-6-11)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)/p+1
InChIKeyVNZFNOXBSXJDFA-UHFFFAOYSA-O
XLogP1.41
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 19615406
diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 7972960
N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 51852314
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 6472271
3-(4-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083881
N-(2-aminoethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 19576133
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83289765
N-propyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 137412309
diethyl-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 2105849
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazole-5-carbonyl]amino]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 24949066
N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]-3-(4-tert-butylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083627
3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide
CID 139220683

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium (CID 7343077) is diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium?
The InChIKey is VNZFNOXBSXJDFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19F3N4O2/c1-3-23(4-2)10-9-20-14(24)15-21-13(22-25-15)11-5-7-12(8-6-11)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)/p+1.
What are the key properties of diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium?
diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium has a molecular weight of 357.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium is sourced from PubChem (CID 7343077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).