About methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate
methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate (PubChem CID 118421676) has the molecular formula C27H36N4O4
and a molecular weight of 480.61 g/mol. Its IUPAC name is methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate.
Molecular Properties
| Compound Name | methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate |
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| PubChem CID | 118421676 |
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| Molecular Formula | C27H36N4O4 |
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| Molecular Weight | 480.61 g/mol |
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| Exact Mass | 480.27 |
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| IUPAC Name | methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate |
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| SMILES | COC(=O)c1cnc(N2C3CC[C@H]2CC(OCc2c(C4CCCCC4C)noc2C2CC2)C3)cn1 |
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| InChI | InChI=1S/C27H36N4O4/c1-16-5-3-4-6-21(16)25-22(26(35-30-25)17-7-8-17)15-34-20-11-18-9-10-19(12-20)31(18)24-14-28-23(13-29-24)27(32)33-2/h13-14,16-21H,3-12,15H2,1-2H3/t16?,18-,19?,20?,21?/m0/s1 |
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| InChIKey | UNCNFWSLTGFFGT-KHCAVCRUSA-N |
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| XLogP | 5.14 |
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| TPSA | 90.58 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 480.61 |
| LogP ≤ 5 | 5.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate with MolForge
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Frequently Asked Questions
What is the IUPAC name of methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate (CID 118421676) is methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2C3CC[C@H]2CC(OCc2c(C4CCCCC4C)noc2C2CC2)C3)cn1.
What is the InChIKey of methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate?
The InChIKey is UNCNFWSLTGFFGT-KHCAVCRUSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-16-5-3-4-6-21(16)25-22(26(35-30-25)17-7-8-17)15-34-20-11-18-9-10-19(12-20)31(18)24-14-28-23(13-29-24)27(32)33-2/h13-14,16-21H,3-12,15H2,1-2H3/t16?,18-,19?,20?,21?/m0/s1.
What are the key properties of methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate?
methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate has a molecular weight of 480.61 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5S)-3-[[5-cyclopropyl-3-(2-methylcyclohexyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 118421676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).