N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)

C74H85N17O17S6 — CID 157156833

About N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)

N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide) (PubChem CID 157156833) has the molecular formula C74H85N17O17S6 and a molecular weight of 1677.00 g/mol. Its IUPAC name is N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide).

Molecular Properties

• Compound Name: N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)
• PubChem CID: 157156833
• Molecular Formula: C74H85N17O17S6
• Molecular Weight: 1677.00 g/mol
• Exact Mass: 1675.46
• IUPAC Name: N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)
• SMILES: CC(C)c1nnc(CS(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)s1.CC(C)c1nnc(CS(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)s1.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1nccn1C.COCn1cccc1S(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1
• InChI: InChI=1S/C20H24N4O5S.C18H21N5O4S.2C18H20N4O4S2/c1-23(30(26,27)19-10-6-13-24(19)15-28-2)12-7-11-21-20(25)17-14-18(29-22-17)16-8-4-3-5-9-16;1-22-12-10-20-18(22)28(25,26)23(2)11-6-9-19-17(24)15-13-16(27-21-15)14-7-4-3-5-8-14;2*1-12(2)18-21-20-16(27-18)11-28(24,25)9-8-19-17(23)14-10-15(26-22-14)13-6-4-3-5-7-13/h3-6,8-10,13-14H,7,11-12,15H2,1-2H3,(H,21,25);3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,19,24);2*3-7,10,12H,8-9,11H2,1-2H3,(H,19,23)
• InChIKey: ALXGVHRUZNXBLO-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 447.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.00
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)?

The IUPAC name of N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide) (CID 157156833) is N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide).

What is the SMILES notation for N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)?

The canonical SMILES for N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide) is CC(C)c1nnc(CS(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)s1.CC(C)c1nnc(CS(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)s1.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1nccn1C.COCn1cccc1S(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1.

What is the InChIKey of N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)?

The InChIKey is ALXGVHRUZNXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S.C18H21N5O4S.2C18H20N4O4S2/c1-23(30(26,27)19-10-6-13-24(19)15-28-2)12-7-11-21-20(25)17-14-18(29-22-17)16-8-4-3-5-9-16;1-22-12-10-20-18(22)28(25,26)23(2)11-6-9-19-17(24)15-13-16(27-21-15)14-7-4-3-5-8-14;2*1-12(2)18-21-20-16(27-18)11-28(24,25)9-8-19-17(23)14-10-15(26-22-14)13-6-4-3-5-7-13/h3-6,8-10,13-14H,7,11-12,15H2,1-2H3,(H,21,25);3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,19,24);2*3-7,10,12H,8-9,11H2,1-2H3,(H,19,23).

What are the key properties of N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)?

N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide) has a molecular weight of 1677.00 g/mol, XLogP of 9.03, 34 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide) is sourced from PubChem (CID 157156833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).