bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole

C88H106F4N8O14S2 — CID 161464611

About bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole

bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole (PubChem CID 161464611) has the molecular formula C88H106F4N8O14S2 and a molecular weight of 1639.98 g/mol. Its IUPAC name is bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
• PubChem CID: 161464611
• Molecular Formula: C88H106F4N8O14S2
• Molecular Weight: 1639.98 g/mol
• Exact Mass: 1638.72
• IUPAC Name: bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
• SMILES: CCCCCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1cc(C)no1.COc1c(C)cccc1-c1ncc(C)s1.COc1c(C)cccc1-c1nnc(C)s1.COc1c(C)cccc1C(=O)NCCCO.COc1ccccc1C.Cc1cccc(C(N)=O)c1OC(F)F.Cc1cccc(C(N)=O)c1OC(F)F
• InChI: InChI=1S/C15H23NO2.C12H17NO3.C12H13NO2.C12H13NOS.C11H12N2OS.2C9H9F2NO2.C8H10O/c1-4-5-6-7-11-16-15(17)13-10-8-9-12(2)14(13)18-3;1-9-5-3-6-10(11(9)16-2)12(15)13-7-4-8-14;1-8-5-4-6-10(12(8)14-3)11-7-9(2)13-15-11;1-8-5-4-6-10(11(8)14-3)12-13-7-9(2)15-12;1-7-5-4-6-9(10(7)14-3)11-13-12-8(2)15-11;2*1-5-3-2-4-6(8(12)13)7(5)14-9(10)11;1-7-5-3-4-6-8(7)9-2/h8-10H,4-7,11H2,1-3H3,(H,16,17);3,5-6,14H,4,7-8H2,1-2H3,(H,13,15);2*4-7H,1-3H3;4-6H,1-3H3;2*2-4,9H,1H3,(H2,12,13);3-6H,1-2H3
• InChIKey: WCGKPUNSILGVHH-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 303.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1639.98
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole?

The IUPAC name of bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole (CID 161464611) is bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole.

What is the SMILES notation for bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole?

The canonical SMILES for bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole is CCCCCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1cc(C)no1.COc1c(C)cccc1-c1ncc(C)s1.COc1c(C)cccc1-c1nnc(C)s1.COc1c(C)cccc1C(=O)NCCCO.COc1ccccc1C.Cc1cccc(C(N)=O)c1OC(F)F.Cc1cccc(C(N)=O)c1OC(F)F.

What is the InChIKey of bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole?

The InChIKey is WCGKPUNSILGVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.C12H17NO3.C12H13NO2.C12H13NOS.C11H12N2OS.2C9H9F2NO2.C8H10O/c1-4-5-6-7-11-16-15(17)13-10-8-9-12(2)14(13)18-3;1-9-5-3-6-10(11(9)16-2)12(15)13-7-4-8-14;1-8-5-4-6-10(12(8)14-3)11-7-9(2)13-15-11;1-8-5-4-6-10(11(8)14-3)12-13-7-9(2)15-12;1-7-5-4-6-9(10(7)14-3)11-13-12-8(2)15-11;2*1-5-3-2-4-6(8(12)13)7(5)14-9(10)11;1-7-5-3-4-6-8(7)9-2/h8-10H,4-7,11H2,1-3H3,(H,16,17);3,5-6,14H,4,7-8H2,1-2H3,(H,13,15);2*4-7H,1-3H3;4-6H,1-3H3;2*2-4,9H,1H3,(H2,12,13);3-6H,1-2H3.

What are the key properties of bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole?

bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole has a molecular weight of 1639.98 g/mol, XLogP of 19.06, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 161464611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).