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

C31H39N5O6 — CID 144778001

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

5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene (PubChem CID 144778001) has the molecular formula C31H39N5O6 and a molecular weight of 577.68 g/mol. Its IUPAC name is 5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene.

Molecular Properties

• Compound Name: 5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene
• PubChem CID: 144778001
• Molecular Formula: C31H39N5O6
• Molecular Weight: 577.68 g/mol
• Exact Mass: 577.29
• IUPAC Name: 5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene
• SMILES: Cc1cc(C(=O)NC(Cc2ccncc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1.Cc1ccccc1
• InChI: InChI=1S/C24H31N5O6.C7H8/c1-14(2)9-17(21(31)24(4)13-34-24)27-20(30)12-26-22(32)18(11-16-5-7-25-8-6-16)28-23(33)19-10-15(3)35-29-19;1-7-5-3-2-4-6-7/h5-8,10,14,17-18H,9,11-13H2,1-4H3,(H,26,32)(H,27,30)(H,28,33);2-6H,1H3/t17-,18?,24+;/m0./s1
• InChIKey: UOTGWYUEFIPUMU-MWTUGFGRSA-N
• XLogP: 2.72
• TPSA: 155.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.68
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene (CID 144778001) is 5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene.

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

The canonical SMILES for 5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene is Cc1cc(C(=O)NC(Cc2ccncc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1.Cc1ccccc1.

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

The InChIKey is UOTGWYUEFIPUMU-MWTUGFGRSA-N. The full InChI is InChI=1S/C24H31N5O6.C7H8/c1-14(2)9-17(21(31)24(4)13-34-24)27-20(30)12-26-22(32)18(11-16-5-7-25-8-6-16)28-23(33)19-10-15(3)35-29-19;1-7-5-3-2-4-6-7/h5-8,10,14,17-18H,9,11-13H2,1-4H3,(H,26,32)(H,27,30)(H,28,33);2-6H,1H3/t17-,18?,24+;/m0./s1.

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

5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene has a molecular weight of 577.68 g/mol, XLogP of 2.72, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide;toluene is sourced from PubChem (CID 144778001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).