N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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

C85H93N25O11S5 — CID 158231183

About N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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 (PubChem CID 158231183) has the molecular formula C85H93N25O11S5 and a molecular weight of 1801.18 g/mol. Its IUPAC name is N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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.

Molecular Properties

• Compound Name: N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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
• PubChem CID: 158231183
• Molecular Formula: C85H93N25O11S5
• Molecular Weight: 1801.18 g/mol
• Exact Mass: 1799.61
• IUPAC Name: N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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
• SMILES: COc1cnc(NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3cccs3)on2)ncn1.Cc1ccc(NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1nccc(NCCCNC(=O)c2cc(-c3cccs3)on2)n1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2cccs2)on1
• InChI: InChI=1S/C20H24N6O2S.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;1-12-5-6-16(20-11-12)18-7-3-8-19-17(22)13-10-14(23-21-13)15-4-2-9-24-15;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);2,4-6,9-11H,3,7-8H2,1H3,(H,18,20)(H,19,22);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: GEKBXDPBTHKHHN-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 464.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1801.18
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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?

The IUPAC name of N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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 (CID 158231183) is N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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.

What is the SMILES notation for N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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?

The canonical SMILES for N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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 is COc1cnc(NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3cccs3)on2)ncn1.Cc1ccc(NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1nccc(NCCCNC(=O)c2cc(-c3cccs3)on2)n1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2cccs2)on1.

What is the InChIKey of N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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?

The InChIKey is GEKBXDPBTHKHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S.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;1-12-5-6-16(20-11-12)18-7-3-8-19-17(22)13-10-14(23-21-13)15-4-2-9-24-15;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);2,4-6,9-11H,3,7-8H2,1H3,(H,18,20)(H,19,22);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-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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 has a molecular weight of 1801.18 g/mol, XLogP of 14.65, 37 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)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 is sourced from PubChem (CID 158231183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).