N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C103H112N28O14S6 — CID 157393812

About N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 157393812) has the molecular formula C103H112N28O14S6 and a molecular weight of 2158.61 g/mol. Its IUPAC name is N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 157393812
• Molecular Formula: C103H112N28O14S6
• Molecular Weight: 2158.61 g/mol
• Exact Mass: 2156.72
• IUPAC Name: N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
• SMILES: COc1cnc(NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3cccs3)on2)ncn1.Cc1nccc(NCCCNC(=O)c2cc(-c3cccs3)on2)n1.O=C(NCCCNCc1ccccc1O)c1cc(-c2cccs2)on1.O=C(NCCCNCc1ccccn1)c1cc(-c2cccs2)on1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2cccs2)on1
• InChI: InChI=1S/C20H24N6O2S.C18H19N3O3S.C17H18N4O2S.C16H17N5O3S.2C16H17N5O2S/c27-19(15-14-16(28-25-15)17-6-4-13-29-17)22-9-5-8-21-18-7-10-23-20(24-18)26-11-2-1-3-12-26;22-15-6-2-1-5-13(15)12-19-8-4-9-20-18(23)14-11-16(24-21-14)17-7-3-10-25-17;22-17(14-11-15(23-21-14)16-6-3-10-24-16)20-9-4-7-18-12-13-5-1-2-8-19-13;1-23-11-9-19-16(20-10-11)18-6-3-5-17-15(22)12-8-13(24-21-12)14-4-2-7-25-14;1-11-17-8-5-15(20-11)18-6-3-7-19-16(22)12-10-13(23-21-12)14-4-2-9-24-14;1-11-8-15(20-10-19-11)17-5-3-6-18-16(22)12-9-13(23-21-12)14-4-2-7-24-14/h4,6-7,10,13-14H,1-3,5,8-9,11-12H2,(H,22,27)(H,21,23,24);1-3,5-7,10-11,19,22H,4,8-9,12H2,(H,20,23);1-3,5-6,8,10-11,18H,4,7,9,12H2,(H,20,22);2,4,7-10H,3,5-6H2,1H3,(H,17,22)(H,18,19,20);2,4-5,8-10H,3,6-7H2,1H3,(H,19,22)(H,17,18,20);2,4,7-10H,3,5-6H2,1H3,(H,18,22)(H,17,19,20)
• InChIKey: BMIHWLWBRPOKRH-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 551.67 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 46
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2158.61
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

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-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 157393812) is N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1cnc(NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3cccs3)on2)ncn1.Cc1nccc(NCCCNC(=O)c2cc(-c3cccs3)on2)n1.O=C(NCCCNCc1ccccc1O)c1cc(-c2cccs2)on1.O=C(NCCCNCc1ccccn1)c1cc(-c2cccs2)on1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2cccs2)on1.

What is the InChIKey of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The InChIKey is BMIHWLWBRPOKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S.C18H19N3O3S.C17H18N4O2S.C16H17N5O3S.2C16H17N5O2S/c27-19(15-14-16(28-25-15)17-6-4-13-29-17)22-9-5-8-21-18-7-10-23-20(24-18)26-11-2-1-3-12-26;22-15-6-2-1-5-13(15)12-19-8-4-9-20-18(23)14-11-16(24-21-14)17-7-3-10-25-17;22-17(14-11-15(23-21-14)16-6-3-10-24-16)20-9-4-7-18-12-13-5-1-2-8-19-13;1-23-11-9-19-16(20-10-11)18-6-3-5-17-15(22)12-8-13(24-21-12)14-4-2-7-25-14;1-11-17-8-5-15(20-11)18-6-3-7-19-16(22)12-10-13(23-21-12)14-4-2-9-24-14;1-11-8-15(20-10-19-11)17-5-3-6-18-16(22)12-9-13(23-21-12)14-4-2-7-24-14/h4,6-7,10,13-14H,1-3,5,8-9,11-12H2,(H,22,27)(H,21,23,24);1-3,5-7,10-11,19,22H,4,8-9,12H2,(H,20,23);1-3,5-6,8,10-11,18H,4,7,9,12H2,(H,20,22);2,4,7-10H,3,5-6H2,1H3,(H,17,22)(H,18,19,20);2,4-5,8-10H,3,6-7H2,1H3,(H,19,22)(H,17,18,20);2,4,7-10H,3,5-6H2,1H3,(H,18,22)(H,17,19,20).

What are the key properties of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 2158.61 g/mol, XLogP of 17.04, 46 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157393812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).