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

C19H27N5O2S2 — CID 143924014

IUPAC3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole
SMILESCc1cc(C)on1.Cc1cc(C)sn1.Cc1cnc(C)s1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.2C5H7NS.C4H6N2O/c1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-3-5-4(2)7-6-3/h3*3H,1-2H3;1-2H3
InChIKeyGQFIYHGBXXXACH-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.50
Rot. Bonds

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

3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole (PubChem CID 143924014) has the molecular formula C19H27N5O2S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole
PubChem CID143924014
Molecular FormulaC19H27N5O2S2
Molecular Weight421.59 g/mol
Exact Mass421.16
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole
SMILESCc1cc(C)on1.Cc1cc(C)sn1.Cc1cnc(C)s1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.2C5H7NS.C4H6N2O/c1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-3-5-4(2)7-6-3/h3*3H,1-2H3;1-2H3
InChIKeyGQFIYHGBXXXACH-UHFFFAOYSA-N
XLogP5.50
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

3,5-dimethyl-1,2-oxazole;methane
CID 162114046
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)
CID 159027146
3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
CID 143084717
bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene
CID 158724311
5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole
CID 126703830
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole
CID 91557964
2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene
CID 160729292
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103647951
bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene
CID 158743714
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265
3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 52903741

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-thiazole;3,5-dimethyl-1,2-thiazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole (CID 143924014) is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole is Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cnc(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-thiazole;3,5-dimethyl-1,2-thiazole?
The InChIKey is GQFIYHGBXXXACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.2C5H7NS.C4H6N2O/c1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-3-5-4(2)7-6-3/h3*3H,1-2H3;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-thiazole;3,5-dimethyl-1,2-thiazole?
3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole has a molecular weight of 421.59 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 9 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-thiazole;3,5-dimethyl-1,2-thiazole is sourced from PubChem (CID 143924014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).