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

C30H32N2O5 — CID 68883786

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

benzyl N-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate (PubChem CID 68883786) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is benzyl N-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate
• PubChem CID: 68883786
• Molecular Formula: C30H32N2O5
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.23
• IUPAC Name: benzyl N-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate
• SMILES: CCOC(CCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C30H32N2O5/c1-3-34-28(32-30(33)36-20-24-10-6-4-7-11-24)19-16-23-14-17-26(18-15-23)35-21-27-22(2)37-29(31-27)25-12-8-5-9-13-25/h4-15,17-18,28H,3,16,19-21H2,1-2H3,(H,32,33)
• InChIKey: KPAMWERUZLODPA-UHFFFAOYSA-N
• XLogP: 6.45
• 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	6.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of benzyl N-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate (CID 68883786) is benzyl N-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate.

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

The canonical SMILES for benzyl N-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate is CCOC(CCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)NC(=O)OCc1ccccc1.

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

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

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

benzyl N-[1-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 6.45, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate is sourced from PubChem (CID 68883786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).