N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide

C23H26N4O3 — CID 4196969

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 4196969) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
• PubChem CID: 4196969
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
• SMILES: O=C1NCCN1CCN(CC1CC2C=CC1C2)C(=O)c1ncoc1-c1ccccc1
• InChI: InChI=1S/C23H26N4O3/c28-22(20-21(30-15-25-20)17-4-2-1-3-5-17)27(11-10-26-9-8-24-23(26)29)14-19-13-16-6-7-18(19)12-16/h1-7,15-16,18-19H,8-14H2,(H,24,29)
• InChIKey: NOABYUCHTPXFMS-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 4196969) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide is O=C1NCCN1CCN(CC1CC2C=CC1C2)C(=O)c1ncoc1-c1ccccc1.

What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?

The InChIKey is NOABYUCHTPXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-22(20-21(30-15-25-20)17-4-2-1-3-5-17)27(11-10-26-9-8-24-23(26)29)14-19-13-16-6-7-18(19)12-16/h1-7,15-16,18-19H,8-14H2,(H,24,29).

What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4196969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).