N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine

C₁₅H₁₇F₃N₂O — CID 65186839

About N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine

N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65186839) has the molecular formula C₁₅H₁₇F₃N₂O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

• Compound Name: N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
• PubChem CID: 65186839
• Molecular Formula: C₁₅H₁₇F₃N₂O
• Molecular Weight: 298.31 g/mol
• Exact Mass: 298.13
• IUPAC Name: N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
• SMILES: CC(C)NCCCc1ncc(-c2cc(F)c(F)c(F)c2)o1
• InChI: InChI=1S/C15H17F3N2O/c1-9(2)19-5-3-4-14-20-8-13(21-14)10-6-11(16)15(18)12(17)7-10/h6-9,19H,3-5H2,1-2H3
• InChIKey: RAIWRVXUJBLOPH-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 38.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.31
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?

The IUPAC name of N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65186839) is N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine.

What is the SMILES notation for N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?

The canonical SMILES for N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine is CC(C)NCCCc1ncc(-c2cc(F)c(F)c(F)c2)o1.

What is the InChIKey of N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?

The InChIKey is RAIWRVXUJBLOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9(2)19-5-3-4-14-20-8-13(21-14)10-6-11(16)15(18)12(17)7-10/h6-9,19H,3-5H2,1-2H3.

What are the key properties of N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?

N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65186839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 65186839 — identifiers, structure, computed properties (public domain)

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