[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

C23H23ClFN3O3 — CID 45170984

About [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 45170984) has the molecular formula C23H23ClFN3O3 and a molecular weight of 443.91 g/mol. Its IUPAC name is [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
• PubChem CID: 45170984
• Molecular Formula: C23H23ClFN3O3
• Molecular Weight: 443.91 g/mol
• Exact Mass: 443.14
• IUPAC Name: [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
• SMILES: O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCCC1CCc1ccccn1
• InChI: InChI=1S/C23H23ClFN3O3/c24-20-13-16(25)7-10-22(20)30-15-19-14-21(27-31-19)23(29)28-12-4-2-6-18(28)9-8-17-5-1-3-11-26-17/h1,3,5,7,10-11,13-14,18H,2,4,6,8-9,12,15H2
• InChIKey: RROWMKVSCUOMLC-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.91
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?

The IUPAC name of [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (CID 45170984) is [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.

What is the SMILES notation for [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?

The canonical SMILES for [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCCC1CCc1ccccn1.

What is the InChIKey of [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?

The InChIKey is RROWMKVSCUOMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O3/c24-20-13-16(25)7-10-22(20)30-15-19-14-21(27-31-19)23(29)28-12-4-2-6-18(28)9-8-17-5-1-3-11-26-17/h1,3,5,7,10-11,13-14,18H,2,4,6,8-9,12,15H2.

What are the key properties of [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?

[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 443.91 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45170984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).