About 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one
3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 53316461) has the molecular formula C28H30F2N4O4
and a molecular weight of 524.57 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one.
Molecular Properties
| Compound Name | 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one |
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| PubChem CID | 53316461 |
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| Molecular Formula | C28H30F2N4O4 |
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| Molecular Weight | 524.57 g/mol |
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| Exact Mass | 524.22 |
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| IUPAC Name | 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one |
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| SMILES | O=C(CC(c1ccc(F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(C(=O)N3CCOCC3)co2)CC1 |
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| InChI | InChI=1S/C28H30F2N4O4/c29-22-6-4-20(5-7-22)24(21-2-1-3-23(30)16-21)17-27(35)33-10-8-32(9-11-33)18-26-31-25(19-38-26)28(36)34-12-14-37-15-13-34/h1-7,16,19,24H,8-15,17-18H2 |
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| InChIKey | GWNPUIOCUFFBHZ-UHFFFAOYSA-N |
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| XLogP | 3.29 |
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| TPSA | 79.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 524.57 |
| LogP ≤ 5 | 3.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one (CID 53316461) is 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one is O=C(CC(c1ccc(F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(C(=O)N3CCOCC3)co2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is GWNPUIOCUFFBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O4/c29-22-6-4-20(5-7-22)24(21-2-1-3-23(30)16-21)17-27(35)33-10-8-32(9-11-33)18-26-31-25(19-38-26)28(36)34-12-14-37-15-13-34/h1-7,16,19,24H,8-15,17-18H2.
What are the key properties of 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one?
3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 524.57 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-(4-fluorophenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53316461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).