Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine

C₇₃H₁₃₆N₁₆O₅S₃ — CID 159946510

About Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine

Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine (PubChem CID 159946510) has the molecular formula C₇₃H₁₃₆N₁₆O₅S₃ and a molecular weight of 1414.20 g/mol. Its IUPAC name is ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine.

Molecular Properties

• Compound Name: Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine
• PubChem CID: 159946510
• Molecular Formula: C₇₃H₁₃₆N₁₆O₅S₃
• Molecular Weight: 1414.20 g/mol
• Exact Mass: 1413.00
• IUPAC Name: ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnoc1.Cc1cnsc1.Cc1nccnn1.Cc1ncco1
• InChI: InChI=1S/C5H7N.C4H5N3.2C4H6N2.5C4H5NO.3C4H5NS.12C2H6/c1-5-2-3-6-4-5;1-4-5-2-3-6-7-4;2*1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;12*1-2/h2,4H,3H2,1H3;2-3H,1H3;2*2-3H,1H3,(H,5,6);8*2-3H,1H3;12*1-2H3
• InChIKey: OBOCAYQBBHSCEB-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 277.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1414.20
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine?

The IUPAC name of Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine (CID 159946510) is ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine.

What is the SMILES notation for Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine?

The canonical SMILES for Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnoc1.Cc1cnsc1.Cc1nccnn1.Cc1ncco1.

What is the InChIKey of Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine?

The InChIKey is OBOCAYQBBHSCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H5N3.2C4H6N2.5C4H5NO.3C4H5NS.12C2H6/c1-5-2-3-6-4-5;1-4-5-2-3-6-7-4;2*1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;12*1-2/h2,4H,3H2,1H3;2-3H,1H3;2*2-3H,1H3,(H,5,6);8*2-3H,1H3;12*1-2H3.

What are the key properties of Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine?

Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine has a molecular weight of 1414.20 g/mol, XLogP of 24.22, 0 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;3-methyl-1,2,4-triazine is sourced from PubChem (CID 159946510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159946510 — identifiers, structure, computed properties (public domain)

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