N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C23H28N4O7 — CID 143460307

About N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 143460307) has the molecular formula C23H28N4O7 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 143460307
• Molecular Formula: C23H28N4O7
• Molecular Weight: 472.50 g/mol
• Exact Mass: 472.20
• IUPAC Name: N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COC[C@H](NC(=O)c1cc(C)on1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CO1
• InChI: InChI=1S/C23H28N4O7/c1-14-9-17(27-34-14)22(31)26-18(12-32-3)21(30)24-11-19(28)25-16(20(29)23(2)13-33-23)10-15-7-5-4-6-8-15/h4-9,16,18H,10-13H2,1-3H3,(H,24,30)(H,25,28)(H,26,31)/t16-,18-,23?/m0/s1
• InChIKey: PQAUSVQQJIGTOL-WSJPMQGYSA-N
• XLogP: -0.07
• TPSA: 152.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.50
LogP ≤ 5	-0.07
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 N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 143460307) is N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)c1cc(C)on1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CO1.

What is the InChIKey of N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is PQAUSVQQJIGTOL-WSJPMQGYSA-N. The full InChI is InChI=1S/C23H28N4O7/c1-14-9-17(27-34-14)22(31)26-18(12-32-3)21(30)24-11-19(28)25-16(20(29)23(2)13-33-23)10-15-7-5-4-6-8-15/h4-9,16,18H,10-13H2,1-3H3,(H,24,30)(H,25,28)(H,26,31)/t16-,18-,23?/m0/s1.

What are the key properties of N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 472.50 g/mol, XLogP of -0.07, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 143460307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).