N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C36H46N6O7 — CID 129207289

About N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 129207289) has the molecular formula C36H46N6O7 and a molecular weight of 674.80 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 129207289
• Molecular Formula: C36H46N6O7
• Molecular Weight: 674.80 g/mol
• Exact Mass: 674.34
• IUPAC Name: N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C36H46N6O7/c1-24(2)19-30(34(45)39-29(32(43)36(3)23-48-36)20-26-11-13-37-14-12-26)40-33(44)28(10-9-25-7-5-4-6-8-25)38-35(46)31-21-27(49-41-31)22-42-15-17-47-18-16-42/h4-8,11-14,21,24,28-30H,9-10,15-20,22-23H2,1-3H3,(H,38,46)(H,39,45)(H,40,44)/t28-,29-,30-,36+/m0/s1
• InChIKey: FNIZGUVYRCHSPN-VUXROXARSA-N
• XLogP: 2.25
• TPSA: 168.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	674.80
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 129207289) is N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1.

What is the InChIKey of N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?

The InChIKey is FNIZGUVYRCHSPN-VUXROXARSA-N. The full InChI is InChI=1S/C36H46N6O7/c1-24(2)19-30(34(45)39-29(32(43)36(3)23-48-36)20-26-11-13-37-14-12-26)40-33(44)28(10-9-25-7-5-4-6-8-25)38-35(46)31-21-27(49-41-31)22-42-15-17-47-18-16-42/h4-8,11-14,21,24,28-30H,9-10,15-20,22-23H2,1-3H3,(H,38,46)(H,39,45)(H,40,44)/t28-,29-,30-,36+/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?

N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 674.80 g/mol, XLogP of 2.25, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129207289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).