5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide

C141H154N40O20 — CID 162054387

IUPAC5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESCOc1cccc(C2CC(=O)N(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(C2CC(=O)N(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(N2CCN(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2=O)c1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2cnc3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C26H30N8O4.2C24H26N6O4.C24H28N6O2.C23H25N7O4.C20H19N7O2/c35-24(30-19-17-28-6-5-20(19)32-9-7-27-8-10-32)25-29-18-23(38-25)34-22-4-2-1-3-21(22)33(26(34)36)12-11-31-13-15-37-16-14-31;2*1-33-18-4-2-3-16(11-18)17-12-21(31)30(15-17)22-14-27-24(34-22)23(32)28-19-13-26-6-5-20(19)29-9-7-25-8-10-29;31-23(28-20-16-26-9-6-21(20)29-14-10-25-11-15-29)24-27-17-22(32-24)30-12-7-19(8-13-30)18-4-2-1-3-5-18;1-33-17-4-2-3-16(13-17)29-11-12-30(23(29)32)20-15-26-22(34-20)21(31)27-18-14-25-6-5-19(18)28-9-7-24-8-10-28;28-19(25-15-11-22-6-5-16(15)26-9-7-21-8-10-26)20-23-12-18(29-20)27-13-24-14-3-1-2-4-17(14)27/h1-6,17-18,27H,7-16H2,(H,30,35);2*2-6,11,13-14,17,25H,7-10,12,15H2,1H3,(H,28,32);1-6,9,16-17,19,25H,7-8,10-15H2,(H,28,31);2-6,13-15,24H,7-12H2,1H3,(H,27,31);1-6,11-13,21H,7-10H2,(H,25,28)
InChIKeyYYZFADWUIFWXDS-UHFFFAOYSA-N
MW2729.04 g/mol
LogP13.06
Rot. Bonds34

About 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide

5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide (PubChem CID 162054387) has the molecular formula C141H154N40O20 and a molecular weight of 2729.04 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
PubChem CID162054387
Molecular FormulaC141H154N40O20
Molecular Weight2729.04 g/mol
Exact Mass2727.23
IUPAC Name5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESCOc1cccc(C2CC(=O)N(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(C2CC(=O)N(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(N2CCN(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2=O)c1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2cnc3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C26H30N8O4.2C24H26N6O4.C24H28N6O2.C23H25N7O4.C20H19N7O2/c35-24(30-19-17-28-6-5-20(19)32-9-7-27-8-10-32)25-29-18-23(38-25)34-22-4-2-1-3-21(22)33(26(34)36)12-11-31-13-15-37-16-14-31;2*1-33-18-4-2-3-16(11-18)17-12-21(31)30(15-17)22-14-27-24(34-22)23(32)28-19-13-26-6-5-20(19)29-9-7-25-8-10-29;31-23(28-20-16-26-9-6-21(20)29-14-10-25-11-15-29)24-27-17-22(32-24)30-12-7-19(8-13-30)18-4-2-1-3-5-18;1-33-17-4-2-3-16(13-17)29-11-12-30(23(29)32)20-15-26-22(34-20)21(31)27-18-14-25-6-5-19(18)28-9-7-24-8-10-28;28-19(25-15-11-22-6-5-16(15)26-9-7-21-8-10-26)20-23-12-18(29-20)27-13-24-14-3-1-2-4-17(14)27/h1-6,17-18,27H,7-16H2,(H,30,35);2*2-6,11,13-14,17,25H,7-10,12,15H2,1H3,(H,28,32);1-6,9,16-17,19,25H,7-8,10-15H2,(H,28,31);2-6,13-15,24H,7-12H2,1H3,(H,27,31);1-6,11-13,21H,7-10H2,(H,25,28)
InChIKeyYYZFADWUIFWXDS-UHFFFAOYSA-N
XLogP13.06
TPSA652.06 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds34
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002729.04
LogP ≤ 513.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide (CID 162054387) is 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide is COc1cccc(C2CC(=O)N(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(C2CC(=O)N(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(N2CCN(c3cnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2=O)c1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-n2cnc3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The InChIKey is YYZFADWUIFWXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O4.2C24H26N6O4.C24H28N6O2.C23H25N7O4.C20H19N7O2/c35-24(30-19-17-28-6-5-20(19)32-9-7-27-8-10-32)25-29-18-23(38-25)34-22-4-2-1-3-21(22)33(26(34)36)12-11-31-13-15-37-16-14-31;2*1-33-18-4-2-3-16(11-18)17-12-21(31)30(15-17)22-14-27-24(34-22)23(32)28-19-13-26-6-5-20(19)29-9-7-25-8-10-29;31-23(28-20-16-26-9-6-21(20)29-14-10-25-11-15-29)24-27-17-22(32-24)30-12-7-19(8-13-30)18-4-2-1-3-5-18;1-33-17-4-2-3-16(13-17)29-11-12-30(23(29)32)20-15-26-22(34-20)21(31)27-18-14-25-6-5-19(18)28-9-7-24-8-10-28;28-19(25-15-11-22-6-5-16(15)26-9-7-21-8-10-26)20-23-12-18(29-20)27-13-24-14-3-1-2-4-17(14)27/h1-6,17-18,27H,7-16H2,(H,30,35);2*2-6,11,13-14,17,25H,7-10,12,15H2,1H3,(H,28,32);1-6,9,16-17,19,25H,7-8,10-15H2,(H,28,31);2-6,13-15,24H,7-12H2,1H3,(H,27,31);1-6,11-13,21H,7-10H2,(H,25,28).
What are the key properties of 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide has a molecular weight of 2729.04 g/mol, XLogP of 13.06, 34 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;bis(5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide);5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 162054387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).