3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole

C36H58N14O5S2 — CID 157327745

About 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole

3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole (PubChem CID 157327745) has the molecular formula C36H58N14O5S2 and a molecular weight of 831.09 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole
• PubChem CID: 157327745
• Molecular Formula: C36H58N14O5S2
• Molecular Weight: 831.09 g/mol
• Exact Mass: 830.42
• IUPAC Name: 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole
• SMILES: C.C=S1N=C(C)NO1.CC1=CNCC1=O.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccnn1O.Cc1cncn1O.Cc1ncn[nH]1
• InChI: InChI=1S/C6H10N2.2C5H7NO.C5H7NS.2C4H6N2O.C3H5N3.C3H6N2OS.CH4/c1-5-4-6(2)8(3)7-5;1-4-3-5(2)7-6-4;1-4-2-6-3-5(4)7;1-4-3-5(2)7-6-4;1-4-2-5-3-6(4)7;1-4-2-3-5-6(4)7;1-3-4-2-5-6-3;1-3-4-6-7(2)5-3;/h4H,1-3H3;3H,1-2H3;2,6H,3H2,1H3;3H,1-2H3;2*2-3,7H,1H3;2H,1H3,(H,4,5,6);2H2,1H3,(H,4,5);1H4
• InChIKey: PLHYTFCNOVQOKM-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 237.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	831.09
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole?

The IUPAC name of 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole (CID 157327745) is 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole.

What is the SMILES notation for 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole?

The canonical SMILES for 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole is C.C=S1N=C(C)NO1.CC1=CNCC1=O.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccnn1O.Cc1cncn1O.Cc1ncn[nH]1.

What is the InChIKey of 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole?

The InChIKey is PLHYTFCNOVQOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C5H7NO.C5H7NS.2C4H6N2O.C3H5N3.C3H6N2OS.CH4/c1-5-4-6(2)8(3)7-5;1-4-3-5(2)7-6-4;1-4-2-6-3-5(4)7;1-4-3-5(2)7-6-4;1-4-2-5-3-6(4)7;1-4-2-3-5-6(4)7;1-3-4-2-5-6-3;1-3-4-6-7(2)5-3;/h4H,1-3H3;3H,1-2H3;2,6H,3H2,1H3;3H,1-2H3;2*2-3,7H,1H3;2H,1H3,(H,4,5,6);2H2,1H3,(H,4,5);1H4.

What are the key properties of 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole?

3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole has a molecular weight of 831.09 g/mol, XLogP of 6.23, 0 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;1-hydroxy-5-methylimidazole;1-hydroxy-5-methylpyrazole;methane;4-methyl-1,2-dihydropyrrol-3-one;4-methyl-2-methylidene-5H-1,2,3,5-oxathiadiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole is sourced from PubChem (CID 157327745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).