bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole

C47H63N9O6S4 — CID 158701777

About bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole

bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole (PubChem CID 158701777) has the molecular formula C47H63N9O6S4 and a molecular weight of 978.35 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole
• PubChem CID: 158701777
• Molecular Formula: C47H63N9O6S4
• Molecular Weight: 978.35 g/mol
• Exact Mass: 977.38
• IUPAC Name: bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole
• SMILES: Cc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnoc1C.Cc1cnsc1C.Cc1csc(C)c1
• InChI: InChI=1S/C6H8S.3C5H7NO.2C5H7NS.3C4H5NO.C4H5NS/c1-5-3-6(2)7-4-5;1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4/h3-4H,1-2H3;5*3H,1-2H3;4*2-3H,1H3
• InChIKey: IHQALVFMYLLYDU-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 194.85 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	978.35
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole?

The IUPAC name of bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole (CID 158701777) is bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole.

What is the SMILES notation for bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole?

The canonical SMILES for bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole is Cc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnoc1C.Cc1cnsc1C.Cc1csc(C)c1.

What is the InChIKey of bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole?

The InChIKey is IHQALVFMYLLYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S.3C5H7NO.2C5H7NS.3C4H5NO.C4H5NS/c1-5-3-6(2)7-4-5;1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4/h3-4H,1-2H3;5*3H,1-2H3;4*2-3H,1H3.

What are the key properties of bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole?

bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole has a molecular weight of 978.35 g/mol, XLogP of 14.16, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole is sourced from PubChem (CID 158701777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).