5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide

C24H27N3O3 — CID 39866513

About 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide

5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 39866513) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 39866513
• Molecular Formula: C24H27N3O3
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.21
• IUPAC Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)no2)cc1
• InChI: InChI=1S/C24H27N3O3/c1-2-29-20-12-10-19(11-13-20)23-16-21(26-30-23)24(28)25-17-22(27-14-6-7-15-27)18-8-4-3-5-9-18/h3-5,8-13,16,22H,2,6-7,14-15,17H2,1H3,(H,25,28)/t22-/m1/s1
• InChIKey: AXMQPJLIUGPHQV-JOCHJYFZSA-N
• XLogP: 4.31
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide (CID 39866513) is 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)no2)cc1.

What is the InChIKey of 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is AXMQPJLIUGPHQV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-29-20-12-10-19(11-13-20)23-16-21(26-30-23)24(28)25-17-22(27-14-6-7-15-27)18-8-4-3-5-9-18/h3-5,8-13,16,22H,2,6-7,14-15,17H2,1H3,(H,25,28)/t22-/m1/s1.

What are the key properties of 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide?

5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39866513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).