About [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone
[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone (PubChem CID 90442505) has the molecular formula C22H22FN5O3
and a molecular weight of 423.45 g/mol. Its IUPAC name is [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone.
Molecular Properties
| Compound Name | [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone |
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| PubChem CID | 90442505 |
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| Molecular Formula | C22H22FN5O3 |
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| Molecular Weight | 423.45 g/mol |
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| Exact Mass | 423.17 |
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| IUPAC Name | [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone |
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| SMILES | Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1 |
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| InChI | InChI=1S/C22H22FN5O3/c1-12-3-5-17(20-27-13(2)10-30-20)19(26-12)21(29)28-16-4-6-18(28)14(7-16)11-31-22-24-8-15(23)9-25-22/h3,5,8-10,14,16,18H,4,6-7,11H2,1-2H3 |
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| InChIKey | ZDCHAZLSYURFPU-UHFFFAOYSA-N |
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| XLogP | 3.35 |
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| TPSA | 94.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 31 |
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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 | 423.45 |
| LogP ≤ 5 | 3.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone (CID 90442505) is [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone is Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1.
What is the InChIKey of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is ZDCHAZLSYURFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-12-3-5-17(20-27-13(2)10-30-20)19(26-12)21(29)28-16-4-6-18(28)14(7-16)11-31-22-24-8-15(23)9-25-22/h3,5,8-10,14,16,18H,4,6-7,11H2,1-2H3.
What are the key properties of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone?
[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 423.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 90442505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).