N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C111H119N23O16S6 — CID 159666384

About N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 159666384) has the molecular formula C111H119N23O16S6 and a molecular weight of 2223.72 g/mol. Its IUPAC name is N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 159666384
• Molecular Formula: C111H119N23O16S6
• Molecular Weight: 2223.72 g/mol
• Exact Mass: 2221.75
• IUPAC Name: N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
• SMILES: CC(=O)n1cc(CNCCCNC(=O)c2cc(-c3cccs3)on2)c2ccccc21.COc1cncc(CNCCCNC(=O)c2cc(-c3cccs3)on2)c1.Cc1ccc(CNCCCNC(=O)c2cc(-c3cccs3)on2)c(O)c1.Cc1coc(CNCCCNC(=O)c2cc(-c3cccs3)on2)c1.O=C(NCCCNCC1=CCN=C1)c1cc(-c2cccs2)on1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2cccs2)on1
• InChI: InChI=1S/C22H22N4O3S.C19H19N5O2S.C19H21N3O3S.C18H20N4O3S.C17H19N3O3S.C16H18N4O2S/c1-15(27)26-14-16(17-6-2-3-7-19(17)26)13-23-9-5-10-24-22(28)18-12-20(29-25-18)21-8-4-11-30-21;25-19(15-10-16(26-24-15)17-5-2-9-27-17)22-8-3-6-20-11-13-12-23-18-14(13)4-1-7-21-18;1-13-5-6-14(16(23)10-13)12-20-7-3-8-21-19(24)15-11-17(25-22-15)18-4-2-9-26-18;1-24-14-8-13(11-20-12-14)10-19-5-3-6-21-18(23)15-9-16(25-22-15)17-4-2-7-26-17;1-12-8-13(22-11-12)10-18-5-3-6-19-17(21)14-9-15(23-20-14)16-4-2-7-24-16;21-16(13-9-14(22-20-13)15-3-1-8-23-15)19-6-2-5-17-10-12-4-7-18-11-12/h2-4,6-8,11-12,14,23H,5,9-10,13H2,1H3,(H,24,28);1-2,4-5,7,9-10,12,20H,3,6,8,11H2,(H,21,23)(H,22,25);2,4-6,9-11,20,23H,3,7-8,12H2,1H3,(H,21,24);2,4,7-9,11-12,19H,3,5-6,10H2,1H3,(H,21,23);2,4,7-9,11,18H,3,5-6,10H2,1H3,(H,19,21);1,3-4,8-9,11,17H,2,5-7,10H2,(H,19,21)
• InChIKey: MTLMMAHHGDXZCX-UHFFFAOYSA-N
• XLogP: 18.50
• TPSA: 521.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 49
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2223.72
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 159666384) is N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(=O)n1cc(CNCCCNC(=O)c2cc(-c3cccs3)on2)c2ccccc21.COc1cncc(CNCCCNC(=O)c2cc(-c3cccs3)on2)c1.Cc1ccc(CNCCCNC(=O)c2cc(-c3cccs3)on2)c(O)c1.Cc1coc(CNCCCNC(=O)c2cc(-c3cccs3)on2)c1.O=C(NCCCNCC1=CCN=C1)c1cc(-c2cccs2)on1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2cccs2)on1.

What is the InChIKey of N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The InChIKey is MTLMMAHHGDXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S.C19H19N5O2S.C19H21N3O3S.C18H20N4O3S.C17H19N3O3S.C16H18N4O2S/c1-15(27)26-14-16(17-6-2-3-7-19(17)26)13-23-9-5-10-24-22(28)18-12-20(29-25-18)21-8-4-11-30-21;25-19(15-10-16(26-24-15)17-5-2-9-27-17)22-8-3-6-20-11-13-12-23-18-14(13)4-1-7-21-18;1-13-5-6-14(16(23)10-13)12-20-7-3-8-21-19(24)15-11-17(25-22-15)18-4-2-9-26-18;1-24-14-8-13(11-20-12-14)10-19-5-3-6-21-18(23)15-9-16(25-22-15)17-4-2-7-26-17;1-12-8-13(22-11-12)10-18-5-3-6-19-17(21)14-9-15(23-20-14)16-4-2-7-24-16;21-16(13-9-14(22-20-13)15-3-1-8-23-15)19-6-2-5-17-10-12-4-7-18-11-12/h2-4,6-8,11-12,14,23H,5,9-10,13H2,1H3,(H,24,28);1-2,4-5,7,9-10,12,20H,3,6,8,11H2,(H,21,23)(H,22,25);2,4-6,9-11,20,23H,3,7-8,12H2,1H3,(H,21,24);2,4,7-9,11-12,19H,3,5-6,10H2,1H3,(H,21,23);2,4,7-9,11,18H,3,5-6,10H2,1H3,(H,19,21);1,3-4,8-9,11,17H,2,5-7,10H2,(H,19,21).

What are the key properties of N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 2223.72 g/mol, XLogP of 18.50, 49 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159666384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).