N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C30H42N4O7 — CID 130416691

About N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 130416691) has the molecular formula C30H42N4O7 and a molecular weight of 570.69 g/mol. Its IUPAC name is N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 130416691
• Molecular Formula: C30H42N4O7
• Molecular Weight: 570.69 g/mol
• Exact Mass: 570.31
• IUPAC Name: N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
• SMILES: COCCC(NC(=O)c1cc(C(C)C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C30H42N4O7/c1-18(2)14-22(26(35)30(5)17-40-30)32-28(37)23(15-20-10-8-7-9-11-20)33-27(36)21(12-13-39-6)31-29(38)24-16-25(19(3)4)41-34-24/h7-11,16,18-19,21-23H,12-15,17H2,1-6H3,(H,31,38)(H,32,37)(H,33,36)/t21?,22?,23-,30+/m0/s1
• InChIKey: YXFNIPVSKUPXMW-MMEFCJSUSA-N
• XLogP: 2.55
• TPSA: 152.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.69
LogP ≤ 5	2.55
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-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 130416691) is N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is COCCC(NC(=O)c1cc(C(C)C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)[C@@]1(C)CO1.

What is the InChIKey of N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?

The InChIKey is YXFNIPVSKUPXMW-MMEFCJSUSA-N. The full InChI is InChI=1S/C30H42N4O7/c1-18(2)14-22(26(35)30(5)17-40-30)32-28(37)23(15-20-10-8-7-9-11-20)33-27(36)21(12-13-39-6)31-29(38)24-16-25(19(3)4)41-34-24/h7-11,16,18-19,21-23H,12-15,17H2,1-6H3,(H,31,38)(H,32,37)(H,33,36)/t21?,22?,23-,30+/m0/s1.

What are the key properties of N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?

N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 570.69 g/mol, XLogP of 2.55, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-1-[[(2S)-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130416691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).