N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide

C95H103N25O11 — CID 157468512

IUPACN-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cnc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3ccccc3)on2)ncn1.Cc1ccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1nccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H26N6O2.C19H20N4O2.C18H19N5O3.2C18H19N5O2/c29-21(18-16-19(30-27-18)17-8-3-1-4-9-17)24-12-7-11-23-20-10-13-25-22(26-20)28-14-5-2-6-15-28;1-14-8-9-18(22-13-14)20-10-5-11-21-19(24)16-12-17(25-23-16)15-6-3-2-4-7-15;1-25-14-11-21-18(22-12-14)20-9-5-8-19-17(24)15-10-16(26-23-15)13-6-3-2-4-7-13;1-13-19-11-8-17(22-13)20-9-5-10-21-18(24)15-12-16(25-23-15)14-6-3-2-4-7-14;1-13-10-17(22-12-21-13)19-8-5-9-20-18(24)15-11-16(25-23-15)14-6-3-2-4-7-14/h1,3-4,8-10,13,16H,2,5-7,11-12,14-15H2,(H,24,29)(H,23,25,26);2-4,6-9,12-13H,5,10-11H2,1H3,(H,20,22)(H,21,24);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,21,22);2-4,6-8,11-12H,5,9-10H2,1H3,(H,21,24)(H,19,20,22);2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyBUTFPGSXYJBZQK-UHFFFAOYSA-N
MW1771.03 g/mol
LogP14.35
Rot. Bonds37

About N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide

N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 157468512) has the molecular formula C95H103N25O11 and a molecular weight of 1771.03 g/mol. Its IUPAC name is N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide
PubChem CID157468512
Molecular FormulaC95H103N25O11
Molecular Weight1771.03 g/mol
Exact Mass1769.83
IUPAC NameN-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cnc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3ccccc3)on2)ncn1.Cc1ccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1nccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H26N6O2.C19H20N4O2.C18H19N5O3.2C18H19N5O2/c29-21(18-16-19(30-27-18)17-8-3-1-4-9-17)24-12-7-11-23-20-10-13-25-22(26-20)28-14-5-2-6-15-28;1-14-8-9-18(22-13-14)20-10-5-11-21-19(24)16-12-17(25-23-16)15-6-3-2-4-7-15;1-25-14-11-21-18(22-12-14)20-9-5-8-19-17(24)15-10-16(26-23-15)13-6-3-2-4-7-13;1-13-19-11-8-17(22-13)20-9-5-10-21-18(24)15-12-16(25-23-15)14-6-3-2-4-7-14;1-13-10-17(22-12-21-13)19-8-5-9-20-18(24)15-11-16(25-23-15)14-6-3-2-4-7-14/h1,3-4,8-10,13,16H,2,5-7,11-12,14-15H2,(H,24,29)(H,23,25,26);2-4,6-9,12-13H,5,10-11H2,1H3,(H,20,22)(H,21,24);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,21,22);2-4,6-8,11-12H,5,9-10H2,1H3,(H,21,24)(H,19,20,22);2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyBUTFPGSXYJBZQK-UHFFFAOYSA-N
XLogP14.35
TPSA464.28 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001771.03
LogP ≤ 514.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide (CID 157468512) is N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide is COc1cnc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3ccccc3)on2)ncn1.Cc1ccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1nccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BUTFPGSXYJBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.C19H20N4O2.C18H19N5O3.2C18H19N5O2/c29-21(18-16-19(30-27-18)17-8-3-1-4-9-17)24-12-7-11-23-20-10-13-25-22(26-20)28-14-5-2-6-15-28;1-14-8-9-18(22-13-14)20-10-5-11-21-19(24)16-12-17(25-23-16)15-6-3-2-4-7-15;1-25-14-11-21-18(22-12-14)20-9-5-8-19-17(24)15-10-16(26-23-15)13-6-3-2-4-7-13;1-13-19-11-8-17(22-13)20-9-5-10-21-18(24)15-12-16(25-23-15)14-6-3-2-4-7-14;1-13-10-17(22-12-21-13)19-8-5-9-20-18(24)15-11-16(25-23-15)14-6-3-2-4-7-14/h1,3-4,8-10,13,16H,2,5-7,11-12,14-15H2,(H,24,29)(H,23,25,26);2-4,6-9,12-13H,5,10-11H2,1H3,(H,20,22)(H,21,24);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,21,22);2-4,6-8,11-12H,5,9-10H2,1H3,(H,21,24)(H,19,20,22);2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,24)(H,19,21,22).
What are the key properties of N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 1771.03 g/mol, XLogP of 14.35, 37 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157468512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).