3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H24FN3O4 — CID 55667940

About 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55667940) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 55667940
• Molecular Formula: C21H24FN3O4
• Molecular Weight: 401.44 g/mol
• Exact Mass: 401.18
• IUPAC Name: 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)C2CC(c3cccc(F)c3)=NO2)N2CCOCC2)o1
• InChI: InChI=1S/C21H24FN3O4/c1-14-5-6-19(28-14)18(25-7-9-27-10-8-25)13-23-21(26)20-12-17(24-29-20)15-3-2-4-16(22)11-15/h2-6,11,18,20H,7-10,12-13H2,1H3,(H,23,26)
• InChIKey: XZFPLJMTIRCUPR-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 76.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.44
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55667940) is 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(C(CNC(=O)C2CC(c3cccc(F)c3)=NO2)N2CCOCC2)o1.

What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is XZFPLJMTIRCUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-14-5-6-19(28-14)18(25-7-9-27-10-8-25)13-23-21(26)20-12-17(24-29-20)15-3-2-4-16(22)11-15/h2-6,11,18,20H,7-10,12-13H2,1H3,(H,23,26).

What are the key properties of 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55667940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).