bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole)

C46H67N11O3S3 — CID 157325696

About bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole)

bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole) (PubChem CID 157325696) has the molecular formula C46H67N11O3S3 and a molecular weight of 918.32 g/mol. Its IUPAC name is bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole).

Molecular Properties

• Compound Name: bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole)
• PubChem CID: 157325696
• Molecular Formula: C46H67N11O3S3
• Molecular Weight: 918.32 g/mol
• Exact Mass: 917.46
• IUPAC Name: bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole)
• SMILES: CC1=CN=C(C)C1.CC1=CN=C(C)C1.CC1=NN=C(C)C1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1nnc(C)s1
• InChI: InChI=1S/2C6H9N.C5H8N2.3C5H7NO.2C5H7NS.C4H6N2S/c2*1-5-3-6(2)7-4-5;1-4-3-5(2)7-6-4;2*1-4-3-7-5(2)6-4;3*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h2*4H,3H2,1-2H3;3H2,1-2H3;5*3H,1-2H3;1-2H3
• InChIKey: BERPXRYURHFLRK-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 179.09 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	918.32
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole) (CID 157325696) is bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole).

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

The canonical SMILES for bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole) is CC1=CN=C(C)C1.CC1=CN=C(C)C1.CC1=NN=C(C)C1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1nnc(C)s1.

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

The InChIKey is BERPXRYURHFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.C5H8N2.3C5H7NO.2C5H7NS.C4H6N2S/c2*1-5-3-6(2)7-4-5;1-4-3-5(2)7-6-4;2*1-4-3-7-5(2)6-4;3*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h2*4H,3H2,1-2H3;3H2,1-2H3;5*3H,1-2H3;1-2H3.

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

bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole) has a molecular weight of 918.32 g/mol, XLogP of 13.29, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole) is sourced from PubChem (CID 157325696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).