N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

C25H24F2N4O3 — CID 91889662

About N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 91889662) has the molecular formula C25H24F2N4O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• PubChem CID: 91889662
• Molecular Formula: C25H24F2N4O3
• Molecular Weight: 466.49 g/mol
• Exact Mass: 466.18
• IUPAC Name: N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• SMILES: O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
• InChI: InChI=1S/C25H24F2N4O3/c26-18-6-4-16(5-7-18)22-13-31-15-28-23(21(31)14-34-22)25(33)30-10-8-17(9-11-30)24(32)29-20-3-1-2-19(27)12-20/h1-7,12,15,17,22H,8-11,13-14H2,(H,29,32)
• InChIKey: ITKDUPXCJWVBNT-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 91889662) is N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1.

What is the InChIKey of N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The InChIKey is ITKDUPXCJWVBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3/c26-18-6-4-16(5-7-18)22-13-31-15-28-23(21(31)14-34-22)25(33)30-10-8-17(9-11-30)24(32)29-20-3-1-2-19(27)12-20/h1-7,12,15,17,22H,8-11,13-14H2,(H,29,32).

What are the key properties of N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 91889662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).