3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole

C127H208N40O21S5 — CID 158332253

About 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole

3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole (PubChem CID 158332253) has the molecular formula C127H208N40O21S5 and a molecular weight of 2791.65 g/mol. Its IUPAC name is 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
• PubChem CID: 158332253
• Molecular Formula: C127H208N40O21S5
• Molecular Weight: 2791.65 g/mol
• Exact Mass: 2789.50
• IUPAC Name: 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
• SMILES: CC1=NC(C)CO1.CC1=NC(C)CON1.CC1=NC(C)ON1.CC1=NCC(C)O1.CC1=NCC(C)ON1.CC1=NOC(C)C1.CC1=NOC(C)C1.CC1=NOC(C)CO1.CC1=NOCC(C)O1.CC1CC(C)ON1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1n[nH]c(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/2C5H10N2O.2C5H8N2.2C5H9NO2.C5H9NO.2C5H7NO.C5H9NO.2C5H7NO.C5H11NO.2C5H9NO.2C5H7NO.2C5H7NS.C4H7N3.C4H6N2O.C4H8N2O.2C4H6N2O.3C4H6N2S/c1-4-3-8-7-5(2)6-4;1-4-3-6-5(2)7-8-4;2*1-4-3-6-5(2)7-4;1-4-3-7-6-5(2)8-4;1-4-3-7-5(2)6-8-4;3*1-4-3-7-5(2)6-4;3*1-4-3-6-5(2)7-4;5*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;3*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h2*4H,3H2,1-2H3,(H,6,7);2*3H,1-2H3,(H,6,7);2*4H,3H2,1-2H3;4H,3H2,1-2H3;2*3H,1-2H3;4H,3H2,1-2H3;2*3H,1-2H3;4-6H,3H2,1-2H3;2*5H,3H2,1-2H3;4*3H,1-2H3;1-2H3,(H,5,6,7);1-2H3;4H,1-2H3,(H,5,6);5*1-2H3
• InChIKey: GQDQMIMIGQKHNW-UHFFFAOYSA-N
• XLogP: 26.40
• TPSA: 745.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 63
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2791.65
LogP ≤ 5	26.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?

The IUPAC name of 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole (CID 158332253) is 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole.

What is the SMILES notation for 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?

The canonical SMILES for 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole is CC1=NC(C)CO1.CC1=NC(C)CON1.CC1=NC(C)ON1.CC1=NCC(C)O1.CC1=NCC(C)ON1.CC1=NOC(C)C1.CC1=NOC(C)C1.CC1=NOC(C)CO1.CC1=NOCC(C)O1.CC1CC(C)ON1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1n[nH]c(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?

The InChIKey is GQDQMIMIGQKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10N2O.2C5H8N2.2C5H9NO2.C5H9NO.2C5H7NO.C5H9NO.2C5H7NO.C5H11NO.2C5H9NO.2C5H7NO.2C5H7NS.C4H7N3.C4H6N2O.C4H8N2O.2C4H6N2O.3C4H6N2S/c1-4-3-8-7-5(2)6-4;1-4-3-6-5(2)7-8-4;2*1-4-3-6-5(2)7-4;1-4-3-7-6-5(2)8-4;1-4-3-7-5(2)6-8-4;3*1-4-3-7-5(2)6-4;3*1-4-3-6-5(2)7-4;5*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;3*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h2*4H,3H2,1-2H3,(H,6,7);2*3H,1-2H3,(H,6,7);2*4H,3H2,1-2H3;4H,3H2,1-2H3;2*3H,1-2H3;4H,3H2,1-2H3;2*3H,1-2H3;4-6H,3H2,1-2H3;2*5H,3H2,1-2H3;4*3H,1-2H3;1-2H3,(H,5,6,7);1-2H3;4H,1-2H3,(H,5,6);5*1-2H3.

What are the key properties of 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?

3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole has a molecular weight of 2791.65 g/mol, XLogP of 26.40, 0 rotatable bonds, 7 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine;3,5-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,6-dimethyl-5,6-dihydro-2H-1,2,4-oxadiazine;3,5-dimethyl-2,5-dihydro-1,2,4-oxadiazole;2,4-dimethyl-4,5-dihydro-1,3-oxazole;2,5-dimethyl-4,5-dihydro-1,3-oxazole;bis(3,5-dimethyl-4,5-dihydro-1,2-oxazole);bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1,2-oxazolidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole is sourced from PubChem (CID 158332253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).