N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C26H34N4O9 — CID 130371354

About N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 130371354) has the molecular formula C26H34N4O9 and a molecular weight of 546.58 g/mol. Its IUPAC name is N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 130371354
• Molecular Formula: C26H34N4O9
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.23
• IUPAC Name: N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COCC(NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)NC(Cc1ccc(OC)cc1)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C26H34N4O9/c1-15-10-19(30-39-15)23(32)28-21(13-36-4)25(34)29-20(12-35-3)24(33)27-18(22(31)26(2)14-38-26)11-16-6-8-17(37-5)9-7-16/h6-10,18,20-21H,11-14H2,1-5H3,(H,27,33)(H,28,32)(H,29,34)/t18?,20-,21?,26+/m0/s1
• InChIKey: NMBZGSMZWSOSNO-POVPSTEZSA-N
• XLogP: -0.05
• TPSA: 170.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	-0.05
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-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 130371354) is N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COCC(NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)NC(Cc1ccc(OC)cc1)C(=O)[C@@]1(C)CO1.

What is the InChIKey of N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is NMBZGSMZWSOSNO-POVPSTEZSA-N. The full InChI is InChI=1S/C26H34N4O9/c1-15-10-19(30-39-15)23(32)28-21(13-36-4)25(34)29-20(12-35-3)24(33)27-18(22(31)26(2)14-38-26)11-16-6-8-17(37-5)9-7-16/h6-10,18,20-21H,11-14H2,1-5H3,(H,27,33)(H,28,32)(H,29,34)/t18?,20-,21?,26+/m0/s1.

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

N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 546.58 g/mol, XLogP of -0.05, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methoxy-1-[[(2S)-3-methoxy-1-[[3-(4-methoxyphenyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130371354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).