5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole

C95H99N19O10S+2 — CID 159643079

About 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole

5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole (PubChem CID 159643079) has the molecular formula C95H99N19O10S+2 and a molecular weight of 1699.03 g/mol. Its IUPAC name is 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole.

Molecular Properties

• Compound Name: 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole
• PubChem CID: 159643079
• Molecular Formula: C95H99N19O10S+2
• Molecular Weight: 1699.03 g/mol
• Exact Mass: 1697.75
• IUPAC Name: 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole
• SMILES: Cc1ccc2c(oc3c2nc(C)n3C)c1N1C=CN(C)[C@@H]1C.Cc1nc2c(o1)oc1c(N3C=CN(C)[C@@H]3C)c(C)ccc12.Cc1nc2c(o1)oc1cc(-n3ccc[n+]3C)c(C)cc12.Cc1nc2c(o1)sc1c(N3C=CN(C)[C@@H]3C)c(C)ccc12.Cc1nc2oc3c(-n4ccc[n+]4C)c(C)ccc3c2o1.Cc1nc2oc3c(N4C=CN(C)[C@@H]4C)c(C)ccc3c2o1
• InChI: InChI=1S/C17H20N4O.2C16H17N3O2.C16H17N3OS.2C15H14N3O2/c1-10-6-7-13-14-17(20(5)11(2)18-14)22-16(13)15(10)21-9-8-19(4)12(21)3;1-9-5-6-12-13-16(20-10(2)17-13)21-15(12)14(9)19-8-7-18(4)11(19)3;1-9-5-6-12-14(21-16-15(12)20-10(2)17-16)13(9)19-8-7-18(4)11(19)3;1-9-5-6-12-13-16(20-10(2)17-13)21-15(12)14(9)19-8-7-18(4)11(19)3;1-9-5-6-11-13(12(9)18-8-4-7-17(18)3)20-15-14(11)19-10(2)16-15;1-9-7-11-13(20-15-14(11)16-10(2)19-15)8-12(9)18-6-4-5-17(18)3/h6-9,12H,1-5H3;3*5-8,11H,1-4H3;2*4-8H,1-3H3/q;;;;2*+1/t12-;3*11-;;/m0000../s1
• InChIKey: HGPVXCVOPMAZTL-UDEBUSAESA-N
• XLogP: 20.87
• TPSA: 257.21 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 6
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1699.03
LogP ≤ 5	20.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole?

The IUPAC name of 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole (CID 159643079) is 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole.

What is the SMILES notation for 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole?

The canonical SMILES for 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole is Cc1ccc2c(oc3c2nc(C)n3C)c1N1C=CN(C)[C@@H]1C.Cc1nc2c(o1)oc1c(N3C=CN(C)[C@@H]3C)c(C)ccc12.Cc1nc2c(o1)oc1cc(-n3ccc[n+]3C)c(C)cc12.Cc1nc2c(o1)sc1c(N3C=CN(C)[C@@H]3C)c(C)ccc12.Cc1nc2oc3c(-n4ccc[n+]4C)c(C)ccc3c2o1.Cc1nc2oc3c(N4C=CN(C)[C@@H]4C)c(C)ccc3c2o1.

What is the InChIKey of 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole?

The InChIKey is HGPVXCVOPMAZTL-UDEBUSAESA-N. The full InChI is InChI=1S/C17H20N4O.2C16H17N3O2.C16H17N3OS.2C15H14N3O2/c1-10-6-7-13-14-17(20(5)11(2)18-14)22-16(13)15(10)21-9-8-19(4)12(21)3;1-9-5-6-12-13-16(20-10(2)17-13)21-15(12)14(9)19-8-7-18(4)11(19)3;1-9-5-6-12-14(21-16-15(12)20-10(2)17-16)13(9)19-8-7-18(4)11(19)3;1-9-5-6-12-13-16(20-10(2)17-13)21-15(12)14(9)19-8-7-18(4)11(19)3;1-9-5-6-11-13(12(9)18-8-4-7-17(18)3)20-15-14(11)19-10(2)16-15;1-9-7-11-13(20-15-14(11)16-10(2)19-15)8-12(9)18-6-4-5-17(18)3/h6-9,12H,1-5H3;3*5-8,11H,1-4H3;2*4-8H,1-3H3/q;;;;2*+1/t12-;3*11-;;/m0000../s1.

What are the key properties of 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole?

5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole has a molecular weight of 1699.03 g/mol, XLogP of 20.87, 6 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzofuro[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,6-dimethyl-[1]benzothiolo[3,2-d][1,3]oxazole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,3,6-trimethyl-[1]benzofuro[2,3-d]imidazole;2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-d][1,3]oxazole;2,7-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole is sourced from PubChem (CID 159643079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).