2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole

C20H30N6O3S — CID 161168169

IUPAC2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/C6H9NO.C6H9NS.2C4H6N2O/c2*1-4-5(2)8-6(3)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2*1-3H3;2*1-2H3
InChIKeyUQVFLMYYVLNETQ-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.04
Rot. Bonds

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

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 161168169) has the molecular formula C20H30N6O3S and a molecular weight of 434.57 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
PubChem CID161168169
Molecular FormulaC20H30N6O3S
Molecular Weight434.57 g/mol
Exact Mass434.21
IUPAC Name2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/C6H9NO.C6H9NS.2C4H6N2O/c2*1-4-5(2)8-6(3)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2*1-3H3;2*1-2H3
InChIKeyUQVFLMYYVLNETQ-UHFFFAOYSA-N
XLogP5.04
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole with MolForge

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Related Compounds

2,4,5-Trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole
CID 157303457
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole
CID 158379581
Bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,5-ditert-butyl-1,3,4-thiadiazole
CID 158537027
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)
CID 158899225
4,5-Dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
CID 158939891
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);methane;2,4,5-trimethyl-1,3-oxazole
CID 159433232
4,5-Dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
CID 160895365
Bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole
CID 161134742
4,5-Dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4,4,5,5-tetramethyl-2-propan-2-yl-1,3-oxazole;4,4,5,5-tetramethyl-2-propan-2-yl-1,3-thiazole
CID 161535902

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole (CID 161168169) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnc(C)o1.Cc1noc(C)n1.
What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is UQVFLMYYVLNETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C6H9NS.2C4H6N2O/c2*1-4-5(2)8-6(3)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2*1-3H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 434.57 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 161168169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).