5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide

C119H128N34O20 — CID 160720302

IUPAC5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCCNCC3)o1)C2.Cn1c(=O)n(-c2cnc(C(=O)Nc3cnccc3N3CCNCC3)o2)c2ccccc21.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-c2nc3ccccc3[nH]2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)o1
InChIInChI=1S/2C27H31N7O5.C24H26N6O5.C21H21N7O3.C20H19N7O2/c35-25(31-22-16-29-4-3-23(22)33-7-5-28-6-8-33)26-30-17-24(39-26)34-18-19-15-20(1-2-21(19)27(34)36)38-14-11-32-9-12-37-13-10-32;35-25(31-22-16-29-4-3-23(22)33-7-5-28-6-8-33)26-30-17-24(39-26)34-18-19-1-2-20(15-21(19)27(34)36)38-14-11-32-9-12-37-13-10-32;1-33-19-10-15-14-30(24(32)16(15)11-20(19)34-2)21-13-27-23(35-21)22(31)28-17-12-26-6-4-18(17)29-8-3-5-25-7-9-29;1-26-16-4-2-3-5-17(16)28(21(26)30)18-13-24-20(31-18)19(29)25-14-12-23-7-6-15(14)27-10-8-22-9-11-27;28-19(26-15-11-22-6-5-16(15)27-9-7-21-8-10-27)20-23-12-17(29-20)18-24-13-3-1-2-4-14(13)25-18/h2*1-4,15-17,28H,5-14,18H2,(H,31,35);4,6,10-13,25H,3,5,7-9,14H2,1-2H3,(H,28,31);2-7,12-13,22H,8-11H2,1H3,(H,25,29);1-6,11-12,21H,7-10H2,(H,24,25)(H,26,28)
InChIKeyRTAAQJANENGDGI-UHFFFAOYSA-N
MW2354.55 g/mol
LogP9.15
Rot. Bonds30

About 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide

5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide (PubChem CID 160720302) has the molecular formula C119H128N34O20 and a molecular weight of 2354.55 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
PubChem CID160720302
Molecular FormulaC119H128N34O20
Molecular Weight2354.55 g/mol
Exact Mass2353.00
IUPAC Name5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCCNCC3)o1)C2.Cn1c(=O)n(-c2cnc(C(=O)Nc3cnccc3N3CCNCC3)o2)c2ccccc21.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-c2nc3ccccc3[nH]2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)o1
InChIInChI=1S/2C27H31N7O5.C24H26N6O5.C21H21N7O3.C20H19N7O2/c35-25(31-22-16-29-4-3-23(22)33-7-5-28-6-8-33)26-30-17-24(39-26)34-18-19-15-20(1-2-21(19)27(34)36)38-14-11-32-9-12-37-13-10-32;35-25(31-22-16-29-4-3-23(22)33-7-5-28-6-8-33)26-30-17-24(39-26)34-18-19-1-2-20(15-21(19)27(34)36)38-14-11-32-9-12-37-13-10-32;1-33-19-10-15-14-30(24(32)16(15)11-20(19)34-2)21-13-27-23(35-21)22(31)28-17-12-26-6-4-18(17)29-8-3-5-25-7-9-29;1-26-16-4-2-3-5-17(16)28(21(26)30)18-13-24-20(31-18)19(29)25-14-12-23-7-6-15(14)27-10-8-22-9-11-27;28-19(26-15-11-22-6-5-16(15)27-9-7-21-8-10-27)20-23-12-17(29-20)18-24-13-3-1-2-4-14(13)25-18/h2*1-4,15-17,28H,5-14,18H2,(H,31,35);4,6,10-13,25H,3,5,7-9,14H2,1-2H3,(H,28,31);2-7,12-13,22H,8-11H2,1H3,(H,25,29);1-6,11-12,21H,7-10H2,(H,24,25)(H,26,28)
InChIKeyRTAAQJANENGDGI-UHFFFAOYSA-N
XLogP9.15
TPSA594.85 Ų
H-Bond Donors11
H-Bond Acceptors45
Rotatable Bonds30
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002354.55
LogP ≤ 59.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1045

Analyze 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-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-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide (CID 160720302) is 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCCNCC3)o1)C2.Cn1c(=O)n(-c2cnc(C(=O)Nc3cnccc3N3CCNCC3)o2)c2ccccc21.O=C(Nc1cnccc1N1CCNCC1)c1ncc(-c2nc3ccccc3[nH]2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)o1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
The InChIKey is RTAAQJANENGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31N7O5.C24H26N6O5.C21H21N7O3.C20H19N7O2/c35-25(31-22-16-29-4-3-23(22)33-7-5-28-6-8-33)26-30-17-24(39-26)34-18-19-15-20(1-2-21(19)27(34)36)38-14-11-32-9-12-37-13-10-32;35-25(31-22-16-29-4-3-23(22)33-7-5-28-6-8-33)26-30-17-24(39-26)34-18-19-1-2-20(15-21(19)27(34)36)38-14-11-32-9-12-37-13-10-32;1-33-19-10-15-14-30(24(32)16(15)11-20(19)34-2)21-13-27-23(35-21)22(31)28-17-12-26-6-4-18(17)29-8-3-5-25-7-9-29;1-26-16-4-2-3-5-17(16)28(21(26)30)18-13-24-20(31-18)19(29)25-14-12-23-7-6-15(14)27-10-8-22-9-11-27;28-19(26-15-11-22-6-5-16(15)27-9-7-21-8-10-27)20-23-12-17(29-20)18-24-13-3-1-2-4-14(13)25-18/h2*1-4,15-17,28H,5-14,18H2,(H,31,35);4,6,10-13,25H,3,5,7-9,14H2,1-2H3,(H,28,31);2-7,12-13,22H,8-11H2,1H3,(H,25,29);1-6,11-12,21H,7-10H2,(H,24,25)(H,26,28).
What are the key properties of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?
5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide has a molecular weight of 2354.55 g/mol, XLogP of 9.15, 30 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 160720302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).