(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate

C33H38N2O5 — CID 22087789

About (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate

(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate (PubChem CID 22087789) has the molecular formula C33H38N2O5 and a molecular weight of 542.68 g/mol. Its IUPAC name is (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate.

Molecular Properties

• Compound Name: (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate
• PubChem CID: 22087789
• Molecular Formula: C33H38N2O5
• Molecular Weight: 542.68 g/mol
• Exact Mass: 542.28
• IUPAC Name: (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate
• SMILES: CCCCC(c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)N(CC)C(=O)Oc1ccc(OC)cc1
• InChI: InChI=1S/C33H38N2O5/c1-5-7-13-31(35(6-2)33(36)40-29-20-18-27(37-4)19-21-29)25-14-16-28(17-15-25)38-23-22-30-24(3)39-32(34-30)26-11-9-8-10-12-26/h8-12,14-21,31H,5-7,13,22-23H2,1-4H3
• InChIKey: ICQSAUQQDGTLAI-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 74.03 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.68
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate (CID 22087789) is (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate.

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

The canonical SMILES for (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate is CCCCC(c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)N(CC)C(=O)Oc1ccc(OC)cc1.

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

The InChIKey is ICQSAUQQDGTLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O5/c1-5-7-13-31(35(6-2)33(36)40-29-20-18-27(37-4)19-21-29)25-14-16-28(17-15-25)38-23-22-30-24(3)39-32(34-30)26-11-9-8-10-12-26/h8-12,14-21,31H,5-7,13,22-23H2,1-4H3.

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

(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate has a molecular weight of 542.68 g/mol, XLogP of 8.03, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]carbamate is sourced from PubChem (CID 22087789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).