bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))

C32H53N9O7W2 — CID 157352164

IUPACbis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))
SMILESCN(C)[C-]=O.CN(C)[C-]=O.[CH2-]CN1CCC(C)(c2noc(CC(=O)OCC)n2)CC1.[CH2-]CN1CCC(C)(c2noc(CC(N)=O)n2)CC1.[W+2].[W+2]
InChIInChI=1S/C14H22N3O3.C12H19N4O2.2C3H6NO.2W/c1-4-17-8-6-14(3,7-9-17)13-15-11(20-16-13)10-12(18)19-5-2;1-3-16-6-4-12(2,5-7-16)11-14-10(18-15-11)8-9(13)17;2*1-4(2)3-5;;/h1,4-10H2,2-3H3;1,3-8H2,2H3,(H2,13,17);2*1-2H3;;/q4*-1;2*+2
InChIKeyPVIFKARNZPECOR-UHFFFAOYSA-N
MW1043.51 g/mol
LogP0.87
Rot. Bonds11

About bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))

bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+)) (PubChem CID 157352164) has the molecular formula C32H53N9O7W2 and a molecular weight of 1043.51 g/mol. Its IUPAC name is bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+)).

Molecular Properties

Compound Namebis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))
PubChem CID157352164
Molecular FormulaC32H53N9O7W2
Molecular Weight1043.51 g/mol
Exact Mass1043.31
IUPAC Namebis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))
SMILESCN(C)[C-]=O.CN(C)[C-]=O.[CH2-]CN1CCC(C)(c2noc(CC(=O)OCC)n2)CC1.[CH2-]CN1CCC(C)(c2noc(CC(N)=O)n2)CC1.[W+2].[W+2]
InChIInChI=1S/C14H22N3O3.C12H19N4O2.2C3H6NO.2W/c1-4-17-8-6-14(3,7-9-17)13-15-11(20-16-13)10-12(18)19-5-2;1-3-16-6-4-12(2,5-7-16)11-14-10(18-15-11)8-9(13)17;2*1-4(2)3-5;;/h1,4-10H2,2-3H3;1,3-8H2,2H3,(H2,13,17);2*1-2H3;;/q4*-1;2*+2
InChIKeyPVIFKARNZPECOR-UHFFFAOYSA-N
XLogP0.87
TPSA194.33 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.51
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+)) 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 bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))?
The IUPAC name of bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+)) (CID 157352164) is bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+)).
What is the SMILES notation for bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))?
The canonical SMILES for bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+)) is CN(C)[C-]=O.CN(C)[C-]=O.[CH2-]CN1CCC(C)(c2noc(CC(=O)OCC)n2)CC1.[CH2-]CN1CCC(C)(c2noc(CC(N)=O)n2)CC1.[W+2].[W+2].
What is the InChIKey of bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))?
The InChIKey is PVIFKARNZPECOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N3O3.C12H19N4O2.2C3H6NO.2W/c1-4-17-8-6-14(3,7-9-17)13-15-11(20-16-13)10-12(18)19-5-2;1-3-16-6-4-12(2,5-7-16)11-14-10(18-15-11)8-9(13)17;2*1-4(2)3-5;;/h1,4-10H2,2-3H3;1,3-8H2,2H3,(H2,13,17);2*1-2H3;;/q4*-1;2*+2.
What are the key properties of bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))?
bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+)) has a molecular weight of 1043.51 g/mol, XLogP of 0.87, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+)) is sourced from PubChem (CID 157352164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).