2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C24H25FN2O4 — CID 129457982

About 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 129457982) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 129457982
• Molecular Formula: C24H25FN2O4
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.18
• IUPAC Name: 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• SMILES: COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)COc2ccccc2F)o1
• InChI: InChI=1S/C24H25FN2O4/c1-29-21-11-4-2-8-17(21)14-18-15-26-24(31-18)20-10-6-7-13-27(20)23(28)16-30-22-12-5-3-9-19(22)25/h2-5,8-9,11-12,15,20H,6-7,10,13-14,16H2,1H3/t20-/m0/s1
• InChIKey: RNPFDAZLKYIUNE-FQEVSTJZSA-N
• XLogP: 4.55
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 129457982) is 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)COc2ccccc2F)o1.

What is the InChIKey of 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is RNPFDAZLKYIUNE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-29-21-11-4-2-8-17(21)14-18-15-26-24(31-18)20-10-6-7-13-27(20)23(28)16-30-22-12-5-3-9-19(22)25/h2-5,8-9,11-12,15,20H,6-7,10,13-14,16H2,1H3/t20-/m0/s1.

What are the key properties of 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 424.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 129457982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).