N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C₁₄H₁₇BrN₂O — CID 65183219

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

N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183219) has the molecular formula C₁₄H₁₇BrN₂O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
• PubChem CID: 65183219
• Molecular Formula: C₁₄H₁₇BrN₂O
• Molecular Weight: 309.21 g/mol
• Exact Mass: 308.05
• IUPAC Name: N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
• SMILES: CCCNCCc1ncc(-c2ccccc2Br)o1
• InChI: InChI=1S/C14H17BrN2O/c1-2-8-16-9-7-14-17-10-13(18-14)11-5-3-4-6-12(11)15/h3-6,10,16H,2,7-9H2,1H3
• InChIKey: KZAQCCLFPGMWPW-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 38.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.21
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183219) is N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

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

The canonical SMILES for N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(-c2ccccc2Br)o1.

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

The InChIKey is KZAQCCLFPGMWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-2-8-16-9-7-14-17-10-13(18-14)11-5-3-4-6-12(11)15/h3-6,10,16H,2,7-9H2,1H3.

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

N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 65183219 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.