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

C31H42N12O5S3 — CID 162112564

IUPAC3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole
SMILESCc1cc(C)on1.Cc1csc(C)n1.Cc1ncco1.Cc1nccs1.Cc1ncon1.Cc1nnco1.Cc1nncs1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.C5H7NS.C4H6N2O.C4H5NO.C4H5NS.2C3H4N2O.C3H4N2S/c1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-3-5-4(2)7-6-3;2*1-4-5-2-3-6-4;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3
InChIKeyZGIOHAAQQQGXSW-UHFFFAOYSA-N
MW758.96 g/mol
LogP7.77
Rot. Bonds

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

3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole (PubChem CID 162112564) has the molecular formula C31H42N12O5S3 and a molecular weight of 758.96 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole
PubChem CID162112564
Molecular FormulaC31H42N12O5S3
Molecular Weight758.96 g/mol
Exact Mass758.26
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole
SMILESCc1cc(C)on1.Cc1csc(C)n1.Cc1ncco1.Cc1nccs1.Cc1ncon1.Cc1nnco1.Cc1nncs1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.C5H7NS.C4H6N2O.C4H5NO.C4H5NS.2C3H4N2O.C3H4N2S/c1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-3-5-4(2)7-6-3;2*1-4-5-2-3-6-4;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3
InChIKeyZGIOHAAQQQGXSW-UHFFFAOYSA-N
XLogP7.77
TPSA220.38 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Related Compounds

2-Methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole
CID 157372591
2-Ethyl-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;5-ethyl-3-propan-2-yl-1,2,4-oxadiazole;2-ethyl-4-propan-2-yl-1,3-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-ethyl-2-propan-2-yl-1,3-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yltetrazole;5-ethyl-2-propan-2-yltetrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;5-ethyl-3-propan-2-yl-1,2,4-thiadiazole;2-ethyl-4-propan-2-yl-1,3-thiazole;2-ethyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-3-propan-2-yl-1,2-thiazole
CID 157375347
2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;5-methyl-3H-pyrrole;5-methyl-1,2,4-thiadiazole;bis(2-methyl-1,3-thiazole);bis(2-methylthiophene)
CID 157579381
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
CID 157734609
1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 157870452
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole
CID 158279225
2-Methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole
CID 158397876
3,5-Dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole
CID 158454592
tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole
CID 158502637
5-Tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole
CID 158562606
2-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3-thiazole;ethane
CID 159206321
3,5-Dimethyl-1,2,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 159315244

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole (CID 162112564) is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole is Cc1cc(C)on1.Cc1csc(C)n1.Cc1ncco1.Cc1nccs1.Cc1ncon1.Cc1nnco1.Cc1nncs1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole?
The InChIKey is ZGIOHAAQQQGXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C5H7NS.C4H6N2O.C4H5NO.C4H5NS.2C3H4N2O.C3H4N2S/c1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-3-5-4(2)7-6-3;2*1-4-5-2-3-6-4;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole?
3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole has a molecular weight of 758.96 g/mol, XLogP of 7.77, 0 rotatable bonds, 0 hydrogen bond donors, and 20 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;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole is sourced from PubChem (CID 162112564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).