About 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 72946276) has the molecular formula C27H25FN4O2
and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
Molecular Properties
| Compound Name | 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine |
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| PubChem CID | 72946276 |
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| Molecular Formula | C27H25FN4O2 |
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| Molecular Weight | 456.52 g/mol |
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| Exact Mass | 456.20 |
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| IUPAC Name | 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine |
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| SMILES | Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2C2CC2)cc1 |
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| InChI | InChI=1S/C27H25FN4O2/c28-21-5-3-18(4-6-21)25-26(31-34-27(25)19-1-2-19)20-11-12-29-24(17-20)30-22-7-9-23(10-8-22)32-13-15-33-16-14-32/h3-12,17,19H,1-2,13-16H2,(H,29,30) |
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| InChIKey | FRQAHATZTUYBKE-UHFFFAOYSA-N |
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| XLogP | 6.00 |
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| TPSA | 63.42 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 456.52 |
| LogP ≤ 5 | 6.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 72946276) is 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2C2CC2)cc1.
What is the InChIKey of 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is FRQAHATZTUYBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c28-21-5-3-18(4-6-21)25-26(31-34-27(25)19-1-2-19)20-11-12-29-24(17-20)30-22-7-9-23(10-8-22)32-13-15-33-16-14-32/h3-12,17,19H,1-2,13-16H2,(H,29,30).
What are the key properties of 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 456.52 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 72946276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).