About N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108910) has the molecular formula C29H28N4O4
and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
Molecular Properties
| Compound Name | N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide |
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| PubChem CID | 166108910 |
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| Molecular Formula | C29H28N4O4 |
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| Molecular Weight | 496.57 g/mol |
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| Exact Mass | 496.21 |
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| IUPAC Name | N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide |
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| SMILES | COc1nc(-c2ccc(CN3CC4(COC4)C3)cc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C |
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| InChI | InChI=1S/C29H28N4O4/c1-19-25(26(32-37-19)22-6-4-3-5-7-22)27(34)30-24-13-12-23(31-28(24)35-2)21-10-8-20(9-11-21)14-33-15-29(16-33)17-36-18-29/h3-13H,14-18H2,1-2H3,(H,30,34) |
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| InChIKey | KUMQLKPKEXNRBJ-UHFFFAOYSA-N |
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| XLogP | 4.81 |
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| TPSA | 89.72 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 496.57 |
| LogP ≤ 5 | 4.81 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108910) is N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2ccc(CN3CC4(COC4)C3)cc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is KUMQLKPKEXNRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-19-25(26(32-37-19)22-6-4-3-5-7-22)27(34)30-24-13-12-23(31-28(24)35-2)21-10-8-20(9-11-21)14-33-15-29(16-33)17-36-18-29/h3-13H,14-18H2,1-2H3,(H,30,34).
What are the key properties of N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).