3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole — IUPAC name, SMILES, InChIKey & properties

Name: 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole

3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole (PubChem CID 158085675) has the molecular formula C83H160N18O4S4 and a molecular weight of 1602.58 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Name	3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole
PubChem CID	158085675
Molecular Formula	C83H160N18O4S4
Molecular Weight	1602.58 g/mol
Exact Mass	1601.18
IUPAC Name	3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole
SMILES	C.C.C.C.C.C.C.C.C.CC.CC.CC.Cc1cc(C)n(C)c1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)n1.Cc1nsc(C)c1C.Cc1nsc(C)n1
InChI	InChI=1S/2C7H12N2.C7H11N.2C6H9NO.2C6H9NS.C5H9N3.C5H7NO.C5H7NS.C4H6N2O.C4H6N2S.3C2H6.9CH4/c1-5-6(2)9(4)7(3)8-5;1-5-6(2)8-9(4)7(5)3;1-6-4-7(2)8(3)5-6;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-6-5(2)8(3)7-4;21-4-3-7-5(2)6-4;21-3-5-4(2)7-6-3;31-2;;;;;;;;;/h21-4H3;4-5H,1-3H3;51-3H3;23H,1-2H3;21-2H3;31-2H3;9*1H4
InChIKey	FNMGDLUOYOZCGH-UHFFFAOYSA-N
XLogP	25.80
TPSA	252.74 Å²
H-Bond Donors
H-Bond Acceptors	26
Rotatable Bonds
Heavy Atoms	109
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1602.58
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Analyze 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole (CID 158085675) is 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole.

What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole is C.C.C.C.C.C.C.C.C.CC.CC.CC.Cc1cc(C)n(C)c1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)n1.Cc1nsc(C)c1C.Cc1nsc(C)n1.

What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The InChIKey is FNMGDLUOYOZCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2.C7H11N.2C6H9NO.2C6H9NS.C5H9N3.C5H7NO.C5H7NS.C4H6N2O.C4H6N2S.3C2H6.9CH4/c1-5-6(2)9(4)7(3)8-5;1-5-6(2)8-9(4)7(5)3;1-6-4-7(2)8(3)5-6;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-6-5(2)8(3)7-4;2*1-4-3-7-5(2)6-4;2*1-3-5-4(2)7-6-3;3*1-2;;;;;;;;;/h2*1-4H3;4-5H,1-3H3;5*1-3H3;2*3H,1-2H3;2*1-2H3;3*1-2H3;9*1H4.

What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole?

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 158085675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).