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

C27H45N11O5S — CID 159623918

IUPAC2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane
SMILESC.C.Cc1cnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.4C4H6N2O.C4H6N2S.2CH4/c1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;3*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;/h3H,1-2H3;5*1-2H3;2*1H4
InChIKeyMOFZAWJMUFZGGS-UHFFFAOYSA-N
MW635.80 g/mol
LogP6.46
Rot. Bonds

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

2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane (PubChem CID 159623918) has the molecular formula C27H45N11O5S and a molecular weight of 635.80 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane
PubChem CID159623918
Molecular FormulaC27H45N11O5S
Molecular Weight635.80 g/mol
Exact Mass635.33
IUPAC Name2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane
SMILESC.C.Cc1cnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.4C4H6N2O.C4H6N2S.2CH4/c1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;3*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;/h3H,1-2H3;5*1-2H3;2*1H4
InChIKeyMOFZAWJMUFZGGS-UHFFFAOYSA-N
XLogP6.46
TPSA207.49 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500635.80
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;tris(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 2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane (CID 159623918) is 2,5-dimethyl-1,3,4-oxadiazole;tris(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 2,5-dimethyl-1,3,4-oxadiazole;tris(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 2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane is C.C.Cc1cnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.
What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane?
The InChIKey is MOFZAWJMUFZGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.4C4H6N2O.C4H6N2S.2CH4/c1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;3*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;/h3H,1-2H3;5*1-2H3;2*1H4.
What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;tris(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;methane?
2,5-dimethyl-1,3,4-oxadiazole;tris(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 635.80 g/mol, XLogP of 6.46, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-oxadiazole;tris(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 159623918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).