N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide

C114H100Cl5N27O11S — CID 161292793

About N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide

N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide (PubChem CID 161292793) has the molecular formula C114H100Cl5N27O11S and a molecular weight of 2233.56 g/mol. Its IUPAC name is N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
• PubChem CID: 161292793
• Molecular Formula: C114H100Cl5N27O11S
• Molecular Weight: 2233.56 g/mol
• Exact Mass: 2229.63
• IUPAC Name: N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
• SMILES: CC(=O)Cc1cc(-c2nc(C(=O)NCc3cccs3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2cc(-c3ncn[nH]3)c(-c3cc(CN4CCCC4)ccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(-c3cc(CN(C)C)ccc3Cl)c(-c3ncn[nH]3)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(-c3ncc[nH]3)o2)c(C)cn1.O=C(Cc1cc(-c2nc(C3=NN=CC3)c(-c3ccccc3Cl)o2)ccn1)Cn1cccn1
• InChI: InChI=1S/C25H25ClN6O2.C24H20ClN3O3S.C23H17ClN6O2.C22H22ClN7O2.C20H16ClN5O2/c1-15-12-27-23(30-16(2)33)11-18(15)22-10-20(25-28-14-29-31-25)24(34-22)19-9-17(5-6-21(19)26)13-32-7-3-4-8-32;1-14-12-26-16(10-15(2)29)11-19(14)24-28-21(23(30)27-13-17-6-5-9-32-17)22(31-24)18-7-3-4-8-20(18)25;24-19-5-2-1-4-18(19)22-21(20-7-10-26-29-20)28-23(32-22)15-6-9-25-16(12-15)13-17(31)14-30-11-3-8-27-30;1-12-9-24-18(27-13(2)31)8-15(12)22-28-19(20(32-22)21-25-11-26-29-21)16-7-14(10-30(3)4)5-6-17(16)23;1-11-10-24-16(25-12(2)27)9-14(11)20-26-17(13-5-3-4-6-15(13)21)18(28-20)19-22-7-8-23-19/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,27,30,33)(H,28,29,31);3-9,11-12H,10,13H2,1-2H3,(H,27,30);1-6,8-12H,7,13-14H2;5-9,11H,10H2,1-4H3,(H,24,27,31)(H,25,26,29);3-10H,1-2H3,(H,22,23)(H,24,25,27)
• InChIKey: VGORFJGJBVDGRJ-UHFFFAOYSA-N
• XLogP: 23.93
• TPSA: 493.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2233.56
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide (CID 161292793) is N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide is CC(=O)Cc1cc(-c2nc(C(=O)NCc3cccs3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2cc(-c3ncn[nH]3)c(-c3cc(CN4CCCC4)ccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(-c3cc(CN(C)C)ccc3Cl)c(-c3ncn[nH]3)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(-c3ncc[nH]3)o2)c(C)cn1.O=C(Cc1cc(-c2nc(C3=NN=CC3)c(-c3ccccc3Cl)o2)ccn1)Cn1cccn1.

What is the InChIKey of N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?

The InChIKey is VGORFJGJBVDGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2.C24H20ClN3O3S.C23H17ClN6O2.C22H22ClN7O2.C20H16ClN5O2/c1-15-12-27-23(30-16(2)33)11-18(15)22-10-20(25-28-14-29-31-25)24(34-22)19-9-17(5-6-21(19)26)13-32-7-3-4-8-32;1-14-12-26-16(10-15(2)29)11-19(14)24-28-21(23(30)27-13-17-6-5-9-32-17)22(31-24)18-7-3-4-8-20(18)25;24-19-5-2-1-4-18(19)22-21(20-7-10-26-29-20)28-23(32-22)15-6-9-25-16(12-15)13-17(31)14-30-11-3-8-27-30;1-12-9-24-18(27-13(2)31)8-15(12)22-28-19(20(32-22)21-25-11-26-29-21)16-7-14(10-30(3)4)5-6-17(16)23;1-11-10-24-16(25-12(2)27)9-14(11)20-26-17(13-5-3-4-6-15(13)21)18(28-20)19-22-7-8-23-19/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,27,30,33)(H,28,29,31);3-9,11-12H,10,13H2,1-2H3,(H,27,30);1-6,8-12H,7,13-14H2;5-9,11H,10H2,1-4H3,(H,24,27,31)(H,25,26,29);3-10H,1-2H3,(H,22,23)(H,24,25,27).

What are the key properties of N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?

N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide has a molecular weight of 2233.56 g/mol, XLogP of 23.93, 30 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 161292793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).