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

C50H68N12O3S7 — CID 161430543

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

3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 161430543) has the molecular formula C50H68N12O3S7 and a molecular weight of 1109.64 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• PubChem CID: 161430543
• Molecular Formula: C50H68N12O3S7
• Molecular Weight: 1109.64 g/mol
• Exact Mass: 1108.36
• IUPAC Name: 3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• SMILES: Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccns1.Cc1ccsn1.Cc1cnoc1C.Cc1cnsc1.Cc1cnsc1C.Cc1csnc1C.Cn1cccn1
• InChI: InChI=1S/2C5H7NO.4C5H7NS.C4H6N2.C4H5NO.3C4H5NS/c1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-6-4-2-3-5-6;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/h6*3H,1-2H3;2-4H,1H3;4*2-3H,1H3
• InChIKey: VXYHULYKDDECPL-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 186.14 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.64
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 161430543) is 3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

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

The canonical SMILES for 3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccns1.Cc1ccsn1.Cc1cnoc1C.Cc1cnsc1.Cc1cnsc1C.Cc1csnc1C.Cn1cccn1.

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

The InChIKey is VXYHULYKDDECPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.4C5H7NS.C4H6N2.C4H5NO.3C4H5NS/c1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-6-4-2-3-5-6;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/h6*3H,1-2H3;2-4H,1H3;4*2-3H,1H3.

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

3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 1109.64 g/mol, XLogP of 15.38, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 161430543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).