bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane

C43H89N15O7S — CID 159842499

IUPACbis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.Cc1cnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.6C4H6N2O.C4H6N2S.10CH4/c1-4-3-6-5(2)7-4;2*1-3-5-6-4(2)7-3;4*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;;;;;;/h3H,1-2H3;7*1-2H3;10*1H4
InChIKeyNOVYBWSCXLAWIS-UHFFFAOYSA-N
MW960.35 g/mol
LogP12.93
Rot. Bonds

About bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane

bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane (PubChem CID 159842499) has the molecular formula C43H89N15O7S and a molecular weight of 960.35 g/mol. Its IUPAC name is bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane.

Molecular Properties

Compound Namebis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane
PubChem CID159842499
Molecular FormulaC43H89N15O7S
Molecular Weight960.35 g/mol
Exact Mass959.68
IUPAC Namebis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.Cc1cnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.6C4H6N2O.C4H6N2S.10CH4/c1-4-3-6-5(2)7-4;2*1-3-5-6-4(2)7-3;4*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;;;;;;/h3H,1-2H3;7*1-2H3;10*1H4
InChIKeyNOVYBWSCXLAWIS-UHFFFAOYSA-N
XLogP12.93
TPSA285.33 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500960.35
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane 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(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane?
The IUPAC name of bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane (CID 159842499) is bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane.
What is the SMILES notation for bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane?
The canonical SMILES for bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane is C.C.C.C.C.C.C.C.C.C.Cc1cnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.
What is the InChIKey of bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane?
The InChIKey is NOVYBWSCXLAWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.6C4H6N2O.C4H6N2S.10CH4/c1-4-3-6-5(2)7-4;2*1-3-5-6-4(2)7-3;4*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;;;;;;/h3H,1-2H3;7*1-2H3;10*1H4.
What are the key properties of bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane?
bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane has a molecular weight of 960.35 g/mol, XLogP of 12.93, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethyl-1,3,4-oxadiazole);tetrakis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane is sourced from PubChem (CID 159842499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).