1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone

C23H29FN2O4 — CID 147106092

About 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone

1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone (PubChem CID 147106092) has the molecular formula C23H29FN2O4 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone
• PubChem CID: 147106092
• Molecular Formula: C23H29FN2O4
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.21
• IUPAC Name: 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone
• SMILES: CC(C)(COC1CCCCO1)c1cc(CC(=O)[C@@H]2CCN2c2ccc(F)cc2)on1
• InChI: InChI=1S/C23H29FN2O4/c1-23(2,15-29-22-5-3-4-12-28-22)21-14-18(30-25-21)13-20(27)19-10-11-26(19)17-8-6-16(24)7-9-17/h6-9,14,19,22H,3-5,10-13,15H2,1-2H3/t19-,22?/m0/s1
• InChIKey: BLOWOKPFEAOSNW-YDNXMHBPSA-N
• XLogP: 4.03
• TPSA: 64.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone?

The IUPAC name of 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone (CID 147106092) is 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone.

What is the SMILES notation for 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone?

The canonical SMILES for 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone is CC(C)(COC1CCCCO1)c1cc(CC(=O)[C@@H]2CCN2c2ccc(F)cc2)on1.

What is the InChIKey of 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone?

The InChIKey is BLOWOKPFEAOSNW-YDNXMHBPSA-N. The full InChI is InChI=1S/C23H29FN2O4/c1-23(2,15-29-22-5-3-4-12-28-22)21-14-18(30-25-21)13-20(27)19-10-11-26(19)17-8-6-16(24)7-9-17/h6-9,14,19,22H,3-5,10-13,15H2,1-2H3/t19-,22?/m0/s1.

What are the key properties of 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone?

1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone has a molecular weight of 416.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 147106092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).