1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine

C₁₂H₁₃ClN₂O — CID 65181487

About 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 65181487) has the molecular formula C₁₂H₁₃ClN₂O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

• Compound Name: 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
• PubChem CID: 65181487
• Molecular Formula: C₁₂H₁₃ClN₂O
• Molecular Weight: 236.70 g/mol
• Exact Mass: 236.07
• IUPAC Name: 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
• SMILES: CNC(C)c1ncc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C12H13ClN2O/c1-8(14-2)12-15-7-11(16-12)9-3-5-10(13)6-4-9/h3-8,14H,1-2H3
• InChIKey: REJIHPSRIODZEF-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 38.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.70
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 65181487) is 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

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

The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(-c2ccc(Cl)cc2)o1.

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

The InChIKey is REJIHPSRIODZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8(14-2)12-15-7-11(16-12)9-3-5-10(13)6-4-9/h3-8,14H,1-2H3.

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

1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 236.70 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 65181487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 65181487 — identifiers, structure, computed properties (public domain)

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