N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide

C22H23N2O5P — CID 87892510

About N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide

N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide (PubChem CID 87892510) has the molecular formula C22H23N2O5P and a molecular weight of 426.41 g/mol. Its IUPAC name is N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
• PubChem CID: 87892510
• Molecular Formula: C22H23N2O5P
• Molecular Weight: 426.41 g/mol
• Exact Mass: 426.13
• IUPAC Name: N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
• SMILES: O=C(CCc1cnoc1-c1ccccc1)Nc1ccc(CP2(=O)OCCCO2)cc1
• InChI: InChI=1S/C22H23N2O5P/c25-21(12-9-19-15-23-29-22(19)18-5-2-1-3-6-18)24-20-10-7-17(8-11-20)16-30(26)27-13-4-14-28-30/h1-3,5-8,10-11,15H,4,9,12-14,16H2,(H,24,25)
• InChIKey: OUTZXLPGSHCSSI-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.41
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide?

The IUPAC name of N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide (CID 87892510) is N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide.

What is the SMILES notation for N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide?

The canonical SMILES for N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide is O=C(CCc1cnoc1-c1ccccc1)Nc1ccc(CP2(=O)OCCCO2)cc1.

What is the InChIKey of N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide?

The InChIKey is OUTZXLPGSHCSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2O5P/c25-21(12-9-19-15-23-29-22(19)18-5-2-1-3-6-18)24-20-10-7-17(8-11-20)16-30(26)27-13-4-14-28-30/h1-3,5-8,10-11,15H,4,9,12-14,16H2,(H,24,25).

What are the key properties of N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide?

N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 426.41 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 87892510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).