3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride

C19H26Cl3N3O2 — CID 119396415

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119396415) has the molecular formula C19H26Cl3N3O2 and a molecular weight of 434.80 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
• PubChem CID: 119396415
• Molecular Formula: C19H26Cl3N3O2
• Molecular Weight: 434.80 g/mol
• Exact Mass: 433.11
• IUPAC Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
• SMILES: CNCC1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1.Cl.Cl
• InChI: InChI=1S/C19H24ClN3O2.2ClH/c1-21-11-14-3-2-10-23(13-14)19(24)9-8-18-22-12-17(25-18)15-4-6-16(20)7-5-15;;/h4-7,12,14,21H,2-3,8-11,13H2,1H3;2*1H
• InChIKey: HZZWXUBOPHKGOT-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.80
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride?

The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride (CID 119396415) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride.

What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride?

The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride is CNCC1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1.Cl.Cl.

What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride?

The InChIKey is HZZWXUBOPHKGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.2ClH/c1-21-11-14-3-2-10-23(13-14)19(24)9-8-18-22-12-17(25-18)15-4-6-16(20)7-5-15;;/h4-7,12,14,21H,2-3,8-11,13H2,1H3;2*1H.

What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride?

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 434.80 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119396415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).