2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide

C15H16F3N5O3 — CID 129304923

IUPAC2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
SMILESCN(C)NC(=O)C(=O)N(C)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N5O3/c1-22(2)20-12(24)13(25)23(3)8-9-4-6-10(7-5-9)11-19-14(26-21-11)15(16,17)18/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyFWQREWNGNQCSFL-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.31
Rot. Bonds4

About 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide

2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide (PubChem CID 129304923) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
PubChem CID129304923
Molecular FormulaC15H16F3N5O3
Molecular Weight371.32 g/mol
Exact Mass371.12
IUPAC Name2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
SMILESCN(C)NC(=O)C(=O)N(C)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N5O3/c1-22(2)20-12(24)13(25)23(3)8-9-4-6-10(7-5-9)11-19-14(26-21-11)15(16,17)18/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyFWQREWNGNQCSFL-UHFFFAOYSA-N
XLogP1.31
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521115
N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide
CID 155768958
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
N-ethyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 137366881
N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 147615340
1-methoxy-3-methyl-3-(2,2,2-trifluoroethyl)-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521200
2-[[methoxy-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamoyl]-methylamino]-N-methylacetamide
CID 146521232
N-cyclopropyl-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768332
N,3-dimethoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768779
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
1-(cyanomethyl)-3-ethyl-1-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521173
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide (CID 129304923) is 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide is CN(C)NC(=O)C(=O)N(C)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide?
The InChIKey is FWQREWNGNQCSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c1-22(2)20-12(24)13(25)23(3)8-9-4-6-10(7-5-9)11-19-14(26-21-11)15(16,17)18/h4-7H,8H2,1-3H3,(H,20,24).
What are the key properties of 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide?
2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide has a molecular weight of 371.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 129304923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).