N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide

C51H60F2N8O2 — CID 70082094

About N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide

N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide (PubChem CID 70082094) has the molecular formula C51H60F2N8O2 and a molecular weight of 855.09 g/mol. Its IUPAC name is N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide.

Molecular Properties

• Compound Name: N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide
• PubChem CID: 70082094
• Molecular Formula: C51H60F2N8O2
• Molecular Weight: 855.09 g/mol
• Exact Mass: 854.48
• IUPAC Name: N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide
• SMILES: N/C(=N\CCCc1cc(CCc2ccc(-c3ccccc3)c(F)c2)no1)N1CCCCC1.N/C(=N\CCc1cc(CCc2ccc(-c3ccccc3)c(F)c2)no1)N1CCCCC1
• InChI: InChI=1S/C26H31FN4O.C25H29FN4O/c27-25-18-20(12-14-24(25)21-8-3-1-4-9-21)11-13-22-19-23(32-30-22)10-7-15-29-26(28)31-16-5-2-6-17-31;26-24-17-19(10-12-23(24)20-7-3-1-4-8-20)9-11-21-18-22(31-29-21)13-14-28-25(27)30-15-5-2-6-16-30/h1,3-4,8-9,12,14,18-19H,2,5-7,10-11,13,15-17H2,(H2,28,29);1,3-4,7-8,10,12,17-18H,2,5-6,9,11,13-16H2,(H2,27,28)
• InChIKey: KHIZZFWSVCJURB-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 135.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.09
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide?

The IUPAC name of N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide (CID 70082094) is N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide.

What is the SMILES notation for N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide?

The canonical SMILES for N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide is N/C(=N\CCCc1cc(CCc2ccc(-c3ccccc3)c(F)c2)no1)N1CCCCC1.N/C(=N\CCc1cc(CCc2ccc(-c3ccccc3)c(F)c2)no1)N1CCCCC1.

What is the InChIKey of N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide?

The InChIKey is KHIZZFWSVCJURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O.C25H29FN4O/c27-25-18-20(12-14-24(25)21-8-3-1-4-9-21)11-13-22-19-23(32-30-22)10-7-15-29-26(28)31-16-5-2-6-17-31;26-24-17-19(10-12-23(24)20-7-3-1-4-8-20)9-11-21-18-22(31-29-21)13-14-28-25(27)30-15-5-2-6-16-30/h1,3-4,8-9,12,14,18-19H,2,5-7,10-11,13,15-17H2,(H2,28,29);1,3-4,7-8,10,12,17-18H,2,5-6,9,11,13-16H2,(H2,27,28).

What are the key properties of N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide?

N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide has a molecular weight of 855.09 g/mol, XLogP of 9.61, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 70082094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).