2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

C26H30FN3O3 — CID 42843727

About 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 42843727) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
• PubChem CID: 42843727
• Molecular Formula: C26H30FN3O3
• Molecular Weight: 451.54 g/mol
• Exact Mass: 451.23
• IUPAC Name: 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
• SMILES: COCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1F
• InChI: InChI=1S/C26H30FN3O3/c1-32-18-10-17-30(25(31)21-13-6-7-14-23(21)27)19-22-24(20-11-4-2-5-12-20)28-33-26(22)29-15-8-3-9-16-29/h2,4-7,11-14H,3,8-10,15-19H2,1H3
• InChIKey: MDRMNBIVVXCVEH-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 58.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.54
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?

The IUPAC name of 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 42843727) is 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

What is the SMILES notation for 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?

The canonical SMILES for 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is COCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1F.

What is the InChIKey of 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?

The InChIKey is MDRMNBIVVXCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-32-18-10-17-30(25(31)21-13-6-7-14-23(21)27)19-22-24(20-11-4-2-5-12-20)28-33-26(22)29-15-8-3-9-16-29/h2,4-7,11-14H,3,8-10,15-19H2,1H3.

What are the key properties of 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?

2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 451.54 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 42843727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).