N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine
C106H115N23O5 — CID 158347821
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCNc1c(-c2ccc(-c3c(C)noc3C)cc2)nc2ccccn12.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cn1.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)C)cc1.Cc1noc(C)c1-c1ccc(-c2nc3ccncn3c2NC(C)(C)C)cc1.Cc1noc(C)c1-c1ccc(-c2nc3ncccn3c2NC(C)(C)C)cc1
InChIInChI=1S/C22H24N4O.3C21H23N5O.C21H22N4O/c1-4-5-13-23-22-21(24-19-8-6-7-14-26(19)22)18-11-9-17(10-12-18)20-15(2)25-27-16(20)3;1-13-17(14(2)27-25-13)15-7-9-16(10-8-15)18-19(24-21(3,4)5)26-12-6-11-22-20(26)23-18;1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-12-22-11-10-17(26)23-19;1-13-18(14(2)27-25-13)16-10-9-15(12-22-16)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19;1-13(2)22-21-20(23-18-7-5-6-12-25(18)21)17-10-8-16(9-11-17)19-14(3)24-26-15(19)4/h6-12,14,23H,4-5,13H2,1-3H3;3*6-12,24H,1-5H3;5-13,22H,1-4H3
InChIKeyGRYGMVBMUDJSPQ-UHFFFAOYSA-N
MW1791.24 g/mol
LogP25.21
Rot. Bonds19
About N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine
N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 158347821) has the molecular formula C106H115N23O5 and a molecular weight of 1791.24 g/mol. Its IUPAC name is N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine.
Molecular Properties
| Compound Name | N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine |
|---|---|
| PubChem CID | 158347821 |
| Molecular Formula | C106H115N23O5 |
| Molecular Weight | 1791.24 g/mol |
| Exact Mass | 1789.95 |
| IUPAC Name | N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine |
| SMILES | CCCCNc1c(-c2ccc(-c3c(C)noc3C)cc2)nc2ccccn12.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cn1.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)C)cc1.Cc1noc(C)c1-c1ccc(-c2nc3ccncn3c2NC(C)(C)C)cc1.Cc1noc(C)c1-c1ccc(-c2nc3ncccn3c2NC(C)(C)C)cc1 |
| InChI | InChI=1S/C22H24N4O.3C21H23N5O.C21H22N4O/c1-4-5-13-23-22-21(24-19-8-6-7-14-26(19)22)18-11-9-17(10-12-18)20-15(2)25-27-16(20)3;1-13-17(14(2)27-25-13)15-7-9-16(10-8-15)18-19(24-21(3,4)5)26-12-6-11-22-20(26)23-18;1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-12-22-11-10-17(26)23-19;1-13-18(14(2)27-25-13)16-10-9-15(12-22-16)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19;1-13(2)22-21-20(23-18-7-5-6-12-25(18)21)17-10-8-16(9-11-17)19-14(3)24-26-15(19)4/h6-12,14,23H,4-5,13H2,1-3H3;3*6-12,24H,1-5H3;5-13,22H,1-4H3 |
| InChIKey | GRYGMVBMUDJSPQ-UHFFFAOYSA-N |
| XLogP | 25.21 |
| TPSA | 315.47 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 134 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1791.24 |
| LogP ≤ 5 | 25.21 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 28 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine (CID 158347821) is N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine is CCCCNc1c(-c2ccc(-c3c(C)noc3C)cc2)nc2ccccn12.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cn1.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)C)cc1.Cc1noc(C)c1-c1ccc(-c2nc3ccncn3c2NC(C)(C)C)cc1.Cc1noc(C)c1-c1ccc(-c2nc3ncccn3c2NC(C)(C)C)cc1.
What is the InChIKey of N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is GRYGMVBMUDJSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.3C21H23N5O.C21H22N4O/c1-4-5-13-23-22-21(24-19-8-6-7-14-26(19)22)18-11-9-17(10-12-18)20-15(2)25-27-16(20)3;1-13-17(14(2)27-25-13)15-7-9-16(10-8-15)18-19(24-21(3,4)5)26-12-6-11-22-20(26)23-18;1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-12-22-11-10-17(26)23-19;1-13-18(14(2)27-25-13)16-10-9-15(12-22-16)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19;1-13(2)22-21-20(23-18-7-5-6-12-25(18)21)17-10-8-16(9-11-17)19-14(3)24-26-15(19)4/h6-12,14,23H,4-5,13H2,1-3H3;3*6-12,24H,1-5H3;5-13,22H,1-4H3.
What are the key properties of N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine?
N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 1791.24 g/mol, XLogP of 25.21, 19 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 158347821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158347821 — identifiers, structure, computed properties (public domain)
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