cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone

C19H21FN2O3 — CID 110110467

About cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone

cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone (PubChem CID 110110467) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone
• PubChem CID: 110110467
• Molecular Formula: C19H21FN2O3
• Molecular Weight: 344.39 g/mol
• Exact Mass: 344.15
• IUPAC Name: cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone
• SMILES: O=C(C1CCC1)N1CCOC(c2ncc(Cc3ccc(F)cc3)o2)C1
• InChI: InChI=1S/C19H21FN2O3/c20-15-6-4-13(5-7-15)10-16-11-21-18(25-16)17-12-22(8-9-24-17)19(23)14-2-1-3-14/h4-7,11,14,17H,1-3,8-10,12H2
• InChIKey: RJTXBXRMDYVERG-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.39
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone?

The IUPAC name of cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone (CID 110110467) is cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone.

What is the SMILES notation for cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone?

The canonical SMILES for cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone is O=C(C1CCC1)N1CCOC(c2ncc(Cc3ccc(F)cc3)o2)C1.

What is the InChIKey of cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone?

The InChIKey is RJTXBXRMDYVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-15-6-4-13(5-7-15)10-16-11-21-18(25-16)17-12-22(8-9-24-17)19(23)14-2-1-3-14/h4-7,11,14,17H,1-3,8-10,12H2.

What are the key properties of cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone?

cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 110110467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).