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

C36H46N6O6 — CID 59217732

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

N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 59217732) has the molecular formula C36H46N6O6 and a molecular weight of 658.80 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 59217732
• Molecular Formula: C36H46N6O6
• Molecular Weight: 658.80 g/mol
• Exact Mass: 658.35
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C1(C)CC1
• InChI: InChI=1S/C36H46N6O6/c1-24(2)19-28(32(43)36(3)11-12-36)38-33(44)29(20-25-7-5-4-6-8-25)39-34(45)30(21-26-9-13-37-14-10-26)40-35(46)31-22-27(48-41-31)23-42-15-17-47-18-16-42/h4-10,13-14,22,24,28-30H,11-12,15-21,23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-/m0/s1
• InChIKey: CARHJIFWPPOMGP-DTXPUJKBSA-N
• XLogP: 2.87
• TPSA: 155.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.80
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 59217732) is N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C1(C)CC1.

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

The InChIKey is CARHJIFWPPOMGP-DTXPUJKBSA-N. The full InChI is InChI=1S/C36H46N6O6/c1-24(2)19-28(32(43)36(3)11-12-36)38-33(44)29(20-25-7-5-4-6-8-25)39-34(45)30(21-26-9-13-37-14-10-26)40-35(46)31-22-27(48-41-31)23-42-15-17-47-18-16-42/h4-10,13-14,22,24,28-30H,11-12,15-21,23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-/m0/s1.

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

N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 658.80 g/mol, XLogP of 2.87, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59217732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).