2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one

C114H96Cl5N15O13 — CID 160738440

IUPAC2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cc(C)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(-c3ccccc3Cl)c(C3=NCC=C3)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(C(=O)NCc3ccccc3)c(-c3ccccc3Cl)o2)c(C)cn1.CCNC(=O)c1nc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl.O=C(Cc1ccc(O)cc1)Cc1cc(-c2nc(-c3ncc[nH]3)c(-c3ccccc3Cl)o2)ccn1
InChIInChI=1S/C26H19ClN4O3.C26H22ClN3O3.C22H18ClN3O2.C20H19ClN4O3.C20H18ClNO2/c27-22-4-2-1-3-21(22)24-23(25-29-11-12-30-25)31-26(34-24)17-9-10-28-18(14-17)15-20(33)13-16-5-7-19(32)8-6-16;1-16-14-28-19(12-17(2)31)13-21(16)26-30-23(24(33-26)20-10-6-7-11-22(20)27)25(32)29-15-18-8-4-3-5-9-18;1-13-12-25-15(10-14(2)27)11-17(13)22-26-20(16-6-3-4-7-18(16)23)21(28-22)19-8-5-9-24-19;1-4-22-19(27)17-18(13-7-5-6-8-15(13)21)28-20(25-17)14-9-16(24-12(3)26)23-10-11(14)2;1-12-8-19(24-20(12)16-6-4-5-7-18(16)21)17-10-15(9-14(3)23)22-11-13(17)2/h1-12,14,32H,13,15H2,(H,29,30);3-11,13-14H,12,15H2,1-2H3,(H,29,32);3-8,11-12H,9-10H2,1-2H3;5-10H,4H2,1-3H3,(H,22,27)(H,23,24,26);4-8,10-11H,9H2,1-3H3
InChIKeyRVGGYSLRQSIBDF-UHFFFAOYSA-N
MW2061.38 g/mol
LogP25.27
Rot. Bonds28

About 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one (PubChem CID 160738440) has the molecular formula C114H96Cl5N15O13 and a molecular weight of 2061.38 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one
PubChem CID160738440
Molecular FormulaC114H96Cl5N15O13
Molecular Weight2061.38 g/mol
Exact Mass2057.58
IUPAC Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cc(C)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(-c3ccccc3Cl)c(C3=NCC=C3)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(C(=O)NCc3ccccc3)c(-c3ccccc3Cl)o2)c(C)cn1.CCNC(=O)c1nc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl.O=C(Cc1ccc(O)cc1)Cc1cc(-c2nc(-c3ncc[nH]3)c(-c3ccccc3Cl)o2)ccn1
InChIInChI=1S/C26H19ClN4O3.C26H22ClN3O3.C22H18ClN3O2.C20H19ClN4O3.C20H18ClNO2/c27-22-4-2-1-3-21(22)24-23(25-29-11-12-30-25)31-26(34-24)17-9-10-28-18(14-17)15-20(33)13-16-5-7-19(32)8-6-16;1-16-14-28-19(12-17(2)31)13-21(16)26-30-23(24(33-26)20-10-6-7-11-22(20)27)25(32)29-15-18-8-4-3-5-9-18;1-13-12-25-15(10-14(2)27)11-17(13)22-26-20(16-6-3-4-7-18(16)23)21(28-22)19-8-5-9-24-19;1-4-22-19(27)17-18(13-7-5-6-8-15(13)21)28-20(25-17)14-9-16(24-12(3)26)23-10-11(14)2;1-12-8-19(24-20(12)16-6-4-5-7-18(16)21)17-10-15(9-14(3)23)22-11-13(17)2/h1-12,14,32H,13,15H2,(H,29,30);3-11,13-14H,12,15H2,1-2H3,(H,29,32);3-8,11-12H,9-10H2,1-2H3;5-10H,4H2,1-3H3,(H,22,27)(H,23,24,26);4-8,10-11H,9H2,1-3H3
InChIKeyRVGGYSLRQSIBDF-UHFFFAOYSA-N
XLogP25.27
TPSA398.56 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002061.38
LogP ≤ 525.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one 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-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one (CID 160738440) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one.
What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-c2cc(C)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(-c3ccccc3Cl)c(C3=NCC=C3)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(C(=O)NCc3ccccc3)c(-c3ccccc3Cl)o2)c(C)cn1.CCNC(=O)c1nc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl.O=C(Cc1ccc(O)cc1)Cc1cc(-c2nc(-c3ncc[nH]3)c(-c3ccccc3Cl)o2)ccn1.
What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The InChIKey is RVGGYSLRQSIBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O3.C26H22ClN3O3.C22H18ClN3O2.C20H19ClN4O3.C20H18ClNO2/c27-22-4-2-1-3-21(22)24-23(25-29-11-12-30-25)31-26(34-24)17-9-10-28-18(14-17)15-20(33)13-16-5-7-19(32)8-6-16;1-16-14-28-19(12-17(2)31)13-21(16)26-30-23(24(33-26)20-10-6-7-11-22(20)27)25(32)29-15-18-8-4-3-5-9-18;1-13-12-25-15(10-14(2)27)11-17(13)22-26-20(16-6-3-4-7-18(16)23)21(28-22)19-8-5-9-24-19;1-4-22-19(27)17-18(13-7-5-6-8-15(13)21)28-20(25-17)14-9-16(24-12(3)26)23-10-11(14)2;1-12-8-19(24-20(12)16-6-4-5-7-18(16)21)17-10-15(9-14(3)23)22-11-13(17)2/h1-12,14,32H,13,15H2,(H,29,30);3-11,13-14H,12,15H2,1-2H3,(H,29,32);3-8,11-12H,9-10H2,1-2H3;5-10H,4H2,1-3H3,(H,22,27)(H,23,24,26);4-8,10-11H,9H2,1-3H3.
What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one has a molecular weight of 2061.38 g/mol, XLogP of 25.27, 28 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-ethyl-1,3-oxazole-4-carboxamide;N-benzyl-5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-(4-hydroxyphenyl)propan-2-one;1-[4-[5-(2-chlorophenyl)-4-methylfuran-2-yl]-5-methyl-2-pyridinyl]propan-2-one;1-[4-[4-(2-chlorophenyl)-5-(2H-pyrrol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one is sourced from PubChem (CID 160738440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).