benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate

C30H32N2O5 — CID 68883788

About benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate

benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate (PubChem CID 68883788) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate
• PubChem CID: 68883788
• Molecular Formula: C30H32N2O5
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.23
• IUPAC Name: benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate
• SMILES: CCO[C@H](CNC(=O)OCc1ccccc1)Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1
• InChI: InChI=1S/C30H32N2O5/c1-3-34-27(19-31-30(33)36-20-24-10-6-4-7-11-24)18-23-14-16-26(17-15-23)35-21-28-22(2)37-29(32-28)25-12-8-5-9-13-25/h4-17,27H,3,18-21H2,1-2H3,(H,31,33)/t27-/m0/s1
• InChIKey: KABSTVIHNODCRH-MHZLTWQESA-N
• XLogP: 6.10
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate?

The IUPAC name of benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate (CID 68883788) is benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate.

What is the SMILES notation for benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate?

The canonical SMILES for benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate is CCO[C@H](CNC(=O)OCc1ccccc1)Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1.

What is the InChIKey of benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate?

The InChIKey is KABSTVIHNODCRH-MHZLTWQESA-N. The full InChI is InChI=1S/C30H32N2O5/c1-3-34-27(19-31-30(33)36-20-24-10-6-4-7-11-24)18-23-14-16-26(17-15-23)35-21-28-22(2)37-29(32-28)25-12-8-5-9-13-25/h4-17,27H,3,18-21H2,1-2H3,(H,31,33)/t27-/m0/s1.

What are the key properties of benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate?

benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate has a molecular weight of 500.60 g/mol, XLogP of 6.10, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate is sourced from PubChem (CID 68883788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).