bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)

C46H78N20O4S3 — CID 158541850

About bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)

bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 158541850) has the molecular formula C46H78N20O4S3 and a molecular weight of 1071.47 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 158541850
• Molecular Formula: C46H78N20O4S3
• Molecular Weight: 1071.47 g/mol
• Exact Mass: 1070.57
• IUPAC Name: bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)
• SMILES: CC.CC.CC.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1cncn1
• InChI: InChI=1S/2C5H7NO.C5H7NS.2C4H6N2O.2C4H6N2S.3C3H5N3.3C2H6/c3*1-4-5(2)7-3-6-4;4*1-3-5-4(2)7-6-3;1-6-3-4-2-5-6;2*1-3-4-2-5-6-3;3*1-2/h3*3H,1-2H3;4*1-2H3;2-3H,1H3;2*2H,1H3,(H,4,5,6);3*1-2H3
• InChIKey: HOPQLMUGRZPLAT-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 308.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.47
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)?

The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole) (CID 158541850) is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole).

What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)?

The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole) is CC.CC.CC.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1cncn1.

What is the InChIKey of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)?

The InChIKey is HOPQLMUGRZPLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.C5H7NS.2C4H6N2O.2C4H6N2S.3C3H5N3.3C2H6/c3*1-4-5(2)7-3-6-4;4*1-3-5-4(2)7-6-3;1-6-3-4-2-5-6;2*1-3-4-2-5-6-3;3*1-2/h3*3H,1-2H3;4*1-2H3;2-3H,1H3;2*2H,1H3,(H,4,5,6);3*1-2H3.

What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)?

bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1071.47 g/mol, XLogP of 11.15, 0 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);4,5-dimethyl-1,3-thiazole;ethane;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 158541850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).