2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C115H114Cl5N17O18 — CID 159643320

IUPAC2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Cc1cc(-c2nc(C(=O)NCCOCCO)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2cc(C(=O)NCCCn3cccc3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2cc(C3=NCCN3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.COC(CNC(=O)c1cc(-c2cc(CC(C)=O)ncc2C)oc1-c1ccccc1Cl)OC
InChIInChI=1S/C26H25ClN4O3.C24H25ClN2O5.C23H24ClN3O5.C21H21ClN4O3.C21H19ClN4O2/c1-17-16-29-24(30-18(2)32)15-20(17)23-14-21(25(34-23)19-8-3-4-9-22(19)27)26(33)28-10-7-13-31-11-5-6-12-31;1-14-12-26-16(9-15(2)28)10-18(14)21-11-19(24(29)27-13-22(30-3)31-4)23(32-21)17-7-5-6-8-20(17)25;1-14-13-26-16(11-15(2)29)12-18(14)23-27-20(22(30)25-7-9-31-10-8-28)21(32-23)17-5-3-4-6-19(17)24;1-11(2)24-20(28)18-19(14-7-5-6-8-16(14)22)29-21(26-18)15-9-17(25-13(4)27)23-10-12(15)3;1-12-11-25-19(26-13(2)27)10-15(12)18-9-16(21-23-7-8-24-21)20(28-18)14-5-3-4-6-17(14)22/h3-6,8-9,11-12,14-16H,7,10,13H2,1-2H3,(H,28,33)(H,29,30,32);5-8,10-12,22H,9,13H2,1-4H3,(H,27,29);3-6,12-13,28H,7-11H2,1-2H3,(H,25,30);5-11H,1-4H3,(H,24,28)(H,23,25,27);3-6,9-11H,7-8H2,1-2H3,(H,23,24)(H,25,26,27)
InChIKeyMQQGWXUASGDRGE-UHFFFAOYSA-N
MW2199.54 g/mol
LogP21.98
Rot. Bonds36

About 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 159643320) has the molecular formula C115H114Cl5N17O18 and a molecular weight of 2199.54 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID159643320
Molecular FormulaC115H114Cl5N17O18
Molecular Weight2199.54 g/mol
Exact Mass2195.70
IUPAC Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Cc1cc(-c2nc(C(=O)NCCOCCO)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2cc(C(=O)NCCCn3cccc3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2cc(C3=NCCN3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.COC(CNC(=O)c1cc(-c2cc(CC(C)=O)ncc2C)oc1-c1ccccc1Cl)OC
InChIInChI=1S/C26H25ClN4O3.C24H25ClN2O5.C23H24ClN3O5.C21H21ClN4O3.C21H19ClN4O2/c1-17-16-29-24(30-18(2)32)15-20(17)23-14-21(25(34-23)19-8-3-4-9-22(19)27)26(33)28-10-7-13-31-11-5-6-12-31;1-14-12-26-16(9-15(2)28)10-18(14)21-11-19(24(29)27-13-22(30-3)31-4)23(32-21)17-7-5-6-8-20(17)25;1-14-13-26-16(11-15(2)29)12-18(14)23-27-20(22(30)25-7-9-31-10-8-28)21(32-23)17-5-3-4-6-19(17)24;1-11(2)24-20(28)18-19(14-7-5-6-8-16(14)22)29-21(26-18)15-9-17(25-13(4)27)23-10-12(15)3;1-12-11-25-19(26-13(2)27)10-15(12)18-9-16(21-23-7-8-24-21)20(28-18)14-5-3-4-6-17(14)22/h3-6,8-9,11-12,14-16H,7,10,13H2,1-2H3,(H,28,33)(H,29,30,32);5-8,10-12,22H,9,13H2,1-4H3,(H,27,29);3-6,12-13,28H,7-11H2,1-2H3,(H,25,30);5-11H,1-4H3,(H,24,28)(H,23,25,27);3-6,9-11H,7-8H2,1-2H3,(H,23,24)(H,25,26,27)
InChIKeyMQQGWXUASGDRGE-UHFFFAOYSA-N
XLogP21.98
TPSA471.01 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002199.54
LogP ≤ 521.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 159643320) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide is CC(=O)Cc1cc(-c2nc(C(=O)NCCOCCO)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2cc(C(=O)NCCCn3cccc3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2cc(C3=NCCN3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.COC(CNC(=O)c1cc(-c2cc(CC(C)=O)ncc2C)oc1-c1ccccc1Cl)OC.
What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is MQQGWXUASGDRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3.C24H25ClN2O5.C23H24ClN3O5.C21H21ClN4O3.C21H19ClN4O2/c1-17-16-29-24(30-18(2)32)15-20(17)23-14-21(25(34-23)19-8-3-4-9-22(19)27)26(33)28-10-7-13-31-11-5-6-12-31;1-14-12-26-16(9-15(2)28)10-18(14)21-11-19(24(29)27-13-22(30-3)31-4)23(32-21)17-7-5-6-8-20(17)25;1-14-13-26-16(11-15(2)29)12-18(14)23-27-20(22(30)25-7-9-31-10-8-28)21(32-23)17-5-3-4-6-19(17)24;1-11(2)24-20(28)18-19(14-7-5-6-8-16(14)22)29-21(26-18)15-9-17(25-13(4)27)23-10-12(15)3;1-12-11-25-19(26-13(2)27)10-15(12)18-9-16(21-23-7-8-24-21)20(28-18)14-5-3-4-6-17(14)22/h3-6,8-9,11-12,14-16H,7,10,13H2,1-2H3,(H,28,33)(H,29,30,32);5-8,10-12,22H,9,13H2,1-4H3,(H,27,29);3-6,12-13,28H,7-11H2,1-2H3,(H,25,30);5-11H,1-4H3,(H,24,28)(H,23,25,27);3-6,9-11H,7-8H2,1-2H3,(H,23,24)(H,25,26,27).
What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 2199.54 g/mol, XLogP of 21.98, 36 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide;2-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;5-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 159643320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).