7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one

C₁₉H₂₂FN₃O₂ — CID 153399950

About 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one

7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (PubChem CID 153399950) has the molecular formula C₁₉H₂₂FN₃O₂ and a molecular weight of 343.40 g/mol. Its IUPAC name is 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.

Molecular Properties

• Compound Name: 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
• PubChem CID: 153399950
• Molecular Formula: C₁₉H₂₂FN₃O₂
• Molecular Weight: 343.40 g/mol
• Exact Mass: 343.17
• IUPAC Name: 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
• SMILES: O=C(CCCCCCC1NC=C(c2ccccc2F)N1)c1ccon1
• InChI: InChI=1S/C19H22FN3O2/c20-15-8-6-5-7-14(15)17-13-21-19(22-17)10-4-2-1-3-9-18(24)16-11-12-25-23-16/h5-8,11-13,19,21-22H,1-4,9-10H2
• InChIKey: RKZUNAQITMUAJV-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.40
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
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 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?

The IUPAC name of 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (CID 153399950) is 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.

What is the SMILES notation for 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?

The canonical SMILES for 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is O=C(CCCCCCC1NC=C(c2ccccc2F)N1)c1ccon1.

What is the InChIKey of 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?

The InChIKey is RKZUNAQITMUAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-8-6-5-7-14(15)17-13-21-19(22-17)10-4-2-1-3-9-18(24)16-11-12-25-23-16/h5-8,11-13,19,21-22H,1-4,9-10H2.

What are the key properties of 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?

7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one has a molecular weight of 343.40 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is sourced from PubChem (CID 153399950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153399950 — identifiers, structure, computed properties (public domain)

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