3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole

C13H19N5O2S — CID 144982102

IUPAC3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole
SMILESCc1cc(C)on1.Cc1nnc(C)s1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.C4H6N2O.C4H6N2S/c1-4-3-5(2)7-6-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h3H,1-2H3;2*1-2H3
InChIKeyYVDGKPIATCYGDP-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.13
Rot. Bonds

About 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole

3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole (PubChem CID 144982102) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole
PubChem CID144982102
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole
SMILESCc1cc(C)on1.Cc1nnc(C)s1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.C4H6N2O.C4H6N2S/c1-4-3-5(2)7-6-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h3H,1-2H3;2*1-2H3
InChIKeyYVDGKPIATCYGDP-UHFFFAOYSA-N
XLogP3.13
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole (CID 144982102) is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole is Cc1cc(C)on1.Cc1nnc(C)s1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole?
The InChIKey is YVDGKPIATCYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C4H6N2O.C4H6N2S/c1-4-3-5(2)7-6-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h3H,1-2H3;2*1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole?
3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole has a molecular weight of 309.40 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole is sourced from PubChem (CID 144982102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).