N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide

C145H180N16O24S — CID 158776265

About N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide

N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide (PubChem CID 158776265) has the molecular formula C145H180N16O24S and a molecular weight of 2563.19 g/mol. Its IUPAC name is N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide.

Molecular Properties

• Compound Name: N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide
• PubChem CID: 158776265
• Molecular Formula: C145H180N16O24S
• Molecular Weight: 2563.19 g/mol
• Exact Mass: 2561.31
• IUPAC Name: N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide
• SMILES: CC(C)CC(NC(=O)C(CC(=O)C(CCc1ccccc1)NC(=O)Cc1ccc(CN2CCOCC2)cc1)Cc1ccncc1)C(=O)C1(C)CO1.CC(C)CC(NC(=O)C(CC(=O)C(CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CO1.Cc1cc(C(=O)NC(CCc2ccccc2)C(=O)C[C@@H](Cc2ccncc2)C(=O)NC(CC(C)C)C(=O)C2(C)CO2)no1.Cc1ncc(C(=O)NC(CCc2ccccc2)C(=O)CC(Cc2ccncc2)C(=O)NC(CC(C)C)C(=O)C2(C)CO2)s1
• InChI: InChI=1S/C41H52N4O6.C38H48N4O7.C33H40N4O6.C33H40N4O5S/c1-29(2)23-36(39(48)41(3)28-51-41)44-40(49)34(24-32-15-17-42-18-16-32)26-37(46)35(14-13-30-7-5-4-6-8-30)43-38(47)25-31-9-11-33(12-10-31)27-45-19-21-50-22-20-45;1-26(2)20-32(35(44)38(3)25-48-38)40-36(45)29(21-28-12-8-5-9-13-28)22-34(43)31(15-14-27-10-6-4-7-11-27)39-37(46)33-23-30(49-41-33)24-42-16-18-47-19-17-42;1-21(2)16-27(30(39)33(4)20-42-33)36-31(40)25(18-24-12-14-34-15-13-24)19-29(38)26(11-10-23-8-6-5-7-9-23)35-32(41)28-17-22(3)43-37-28;1-21(2)16-27(30(39)33(4)20-42-33)37-31(40)25(17-24-12-14-34-15-13-24)18-28(38)26(11-10-23-8-6-5-7-9-23)36-32(41)29-19-35-22(3)43-29/h4-12,15-18,29,34-36H,13-14,19-28H2,1-3H3,(H,43,47)(H,44,49);4-13,23,26,29,31-32H,14-22,24-25H2,1-3H3,(H,39,46)(H,40,45);5-9,12-15,17,21,25-27H,10-11,16,18-20H2,1-4H3,(H,35,41)(H,36,40);5-9,12-15,19,21,25-27H,10-11,16-18,20H2,1-4H3,(H,36,41)(H,37,40)/t;;25-,26?,27?,33?;/m..1./s1
• InChIKey: IQMWRQCZINWKQH-FTFRYKPOSA-N
• XLogP: 16.33
• TPSA: 548.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 69
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2563.19
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide?

The IUPAC name of N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide (CID 158776265) is N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide.

What is the SMILES notation for N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide?

The canonical SMILES for N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide is CC(C)CC(NC(=O)C(CC(=O)C(CCc1ccccc1)NC(=O)Cc1ccc(CN2CCOCC2)cc1)Cc1ccncc1)C(=O)C1(C)CO1.CC(C)CC(NC(=O)C(CC(=O)C(CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CO1.Cc1cc(C(=O)NC(CCc2ccccc2)C(=O)C[C@@H](Cc2ccncc2)C(=O)NC(CC(C)C)C(=O)C2(C)CO2)no1.Cc1ncc(C(=O)NC(CCc2ccccc2)C(=O)CC(Cc2ccncc2)C(=O)NC(CC(C)C)C(=O)C2(C)CO2)s1.

What is the InChIKey of N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide?

The InChIKey is IQMWRQCZINWKQH-FTFRYKPOSA-N. The full InChI is InChI=1S/C41H52N4O6.C38H48N4O7.C33H40N4O6.C33H40N4O5S/c1-29(2)23-36(39(48)41(3)28-51-41)44-40(49)34(24-32-15-17-42-18-16-32)26-37(46)35(14-13-30-7-5-4-6-8-30)43-38(47)25-31-9-11-33(12-10-31)27-45-19-21-50-22-20-45;1-26(2)20-32(35(44)38(3)25-48-38)40-36(45)29(21-28-12-8-5-9-13-28)22-34(43)31(15-14-27-10-6-4-7-11-27)39-37(46)33-23-30(49-41-33)24-42-16-18-47-19-17-42;1-21(2)16-27(30(39)33(4)20-42-33)36-31(40)25(18-24-12-14-34-15-13-24)19-29(38)26(11-10-23-8-6-5-7-9-23)35-32(41)28-17-22(3)43-37-28;1-21(2)16-27(30(39)33(4)20-42-33)37-31(40)25(17-24-12-14-34-15-13-24)18-28(38)26(11-10-23-8-6-5-7-9-23)36-32(41)29-19-35-22(3)43-29/h4-12,15-18,29,34-36H,13-14,19-28H2,1-3H3,(H,43,47)(H,44,49);4-13,23,26,29,31-32H,14-22,24-25H2,1-3H3,(H,39,46)(H,40,45);5-9,12-15,17,21,25-27H,10-11,16,18-20H2,1-4H3,(H,35,41)(H,36,40);5-9,12-15,19,21,25-27H,10-11,16-18,20H2,1-4H3,(H,36,41)(H,37,40)/t;;25-,26?,27?,33?;/m..1./s1.

What are the key properties of N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide?

N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide has a molecular weight of 2563.19 g/mol, XLogP of 16.33, 69 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-benzyl-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenylheptan-3-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;5-methyl-N-[(6R)-7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,2-oxazole-3-carboxamide;2-methyl-N-[7-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-4,7-dioxo-1-phenyl-6-(pyridin-4-ylmethyl)heptan-3-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-5-[[2-[4-(morpholin-4-ylmethyl)phenyl]acetyl]amino]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide is sourced from PubChem (CID 158776265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).