N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate

C84H92F10N14O8S3 — CID 158191522

About N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate

N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate (PubChem CID 158191522) has the molecular formula C84H92F10N14O8S3 and a molecular weight of 1711.93 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate.

Molecular Properties

• Compound Name: N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate
• PubChem CID: 158191522
• Molecular Formula: C84H92F10N14O8S3
• Molecular Weight: 1711.93 g/mol
• Exact Mass: 1710.62
• IUPAC Name: N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate
• SMILES: CC(=O)N(C)C(Cc1ccc(CN)cc1)c1nnc(-c2cccc(OC(C)(F)F)c2)o1.CC(=O)NC(c1ccc(CN)cc1)c1nnc(-c2cccc(OC(C)(F)F)c2)s1.CCCCCC(NC(=O)OC(C)(C)C)c1nnc(-c2ccccc2)s1.CCc1ccc(CC(c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)N(C)C(C)=O)cc1
• InChI: InChI=1S/C23H21F6N3OS.C22H24F2N4O3.C20H20F2N4O2S.C19H27N3O2S/c1-4-14-5-7-15(8-6-14)9-19(32(3)13(2)33)21-31-30-20(34-21)16-10-17(22(24,25)26)12-18(11-16)23(27,28)29;1-14(29)28(3)19(11-15-7-9-16(13-25)10-8-15)21-27-26-20(30-21)17-5-4-6-18(12-17)31-22(2,23)24;1-12(27)24-17(14-8-6-13(11-23)7-9-14)19-26-25-18(29-19)15-4-3-5-16(10-15)28-20(2,21)22;1-5-6-8-13-15(20-18(23)24-19(2,3)4)17-22-21-16(25-17)14-11-9-7-10-12-14/h5-8,10-12,19H,4,9H2,1-3H3;4-10,12,19H,11,13,25H2,1-3H3;3-10,17H,11,23H2,1-2H3,(H,24,27);7,9-12,15H,5-6,8,13H2,1-4H3,(H,20,23)
• InChIKey: FZUVFTIXNJBXMI-UHFFFAOYSA-N
• XLogP: 19.75
• TPSA: 294.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.93
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate?

The IUPAC name of N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate (CID 158191522) is N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate.

What is the SMILES notation for N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate?

The canonical SMILES for N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate is CC(=O)N(C)C(Cc1ccc(CN)cc1)c1nnc(-c2cccc(OC(C)(F)F)c2)o1.CC(=O)NC(c1ccc(CN)cc1)c1nnc(-c2cccc(OC(C)(F)F)c2)s1.CCCCCC(NC(=O)OC(C)(C)C)c1nnc(-c2ccccc2)s1.CCc1ccc(CC(c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)N(C)C(C)=O)cc1.

What is the InChIKey of N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate?

The InChIKey is FZUVFTIXNJBXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N3OS.C22H24F2N4O3.C20H20F2N4O2S.C19H27N3O2S/c1-4-14-5-7-15(8-6-14)9-19(32(3)13(2)33)21-31-30-20(34-21)16-10-17(22(24,25)26)12-18(11-16)23(27,28)29;1-14(29)28(3)19(11-15-7-9-16(13-25)10-8-15)21-27-26-20(30-21)17-5-4-6-18(12-17)31-22(2,23)24;1-12(27)24-17(14-8-6-13(11-23)7-9-14)19-26-25-18(29-19)15-4-3-5-16(10-15)28-20(2,21)22;1-5-6-8-13-15(20-18(23)24-19(2,3)4)17-22-21-16(25-17)14-11-9-7-10-12-14/h5-8,10-12,19H,4,9H2,1-3H3;4-10,12,19H,11,13,25H2,1-3H3;3-10,17H,11,23H2,1-2H3,(H,24,27);7,9-12,15H,5-6,8,13H2,1-4H3,(H,20,23).

What are the key properties of N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate?

N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate has a molecular weight of 1711.93 g/mol, XLogP of 19.75, 28 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide;N-[[4-(aminomethyl)phenyl]-[5-[3-(1,1-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methyl]acetamide;N-[1-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)ethyl]-N-methylacetamide;tert-butyl N-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)hexyl]carbamate is sourced from PubChem (CID 158191522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).