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

C60H110N30O4S3 — CID 165086510

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

2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) (PubChem CID 165086510) has the molecular formula C60H110N30O4S3 and a molecular weight of 1411.95 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 165086510
• Molecular Formula: C60H110N30O4S3
• Molecular Weight: 1411.95 g/mol
• Exact Mass: 1410.85
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncoc1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1cncn1.Cn1cnnc1
• InChI: InChI=1S/C5H7NO.3C4H6N2O.3C4H6N2S.C4H6N2.5C3H5N3.6C2H6/c1-4-5(2)7-3-6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;3*1-3-4-2-5-6-3;6*1-2/h3H,1-2H3;6*1-2H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;3*2H,1H3,(H,4,5,6);6*1-2H3
• InChIKey: VZLCFXCDVWUVCJ-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 434.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.95
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) (CID 165086510) is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole).

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

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) is CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncoc1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1cncn1.Cn1cnnc1.

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

The InChIKey is VZLCFXCDVWUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.3C4H6N2O.3C4H6N2S.C4H6N2.5C3H5N3.6C2H6/c1-4-5(2)7-3-6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;3*1-3-4-2-5-6-3;6*1-2/h3H,1-2H3;6*1-2H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;3*2H,1H3,(H,4,5,6);6*1-2H3.

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

2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1411.95 g/mol, XLogP of 13.66, 0 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);4,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;5-methyl-1H-pyrazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 165086510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).