About [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (PubChem CID 18474958) has the molecular formula C38H41NO4
and a molecular weight of 575.75 g/mol. Its IUPAC name is [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.
Molecular Properties
| Compound Name | [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate |
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| PubChem CID | 18474958 |
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| Molecular Formula | C38H41NO4 |
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| Molecular Weight | 575.75 g/mol |
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| Exact Mass | 575.30 |
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| IUPAC Name | [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate |
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| SMILES | CC1CCC(C(C)(C)c2ccccc2)C(OC(=O)C2C(c3ccccc3)OC(=O)N2C(C)c2cccc3ccccc23)C1 |
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| InChI | InChI=1S/C38H41NO4/c1-25-22-23-32(38(3,4)29-18-9-6-10-19-29)33(24-25)42-36(40)34-35(28-15-7-5-8-16-28)43-37(41)39(34)26(2)30-21-13-17-27-14-11-12-20-31(27)30/h5-21,25-26,32-35H,22-24H2,1-4H3 |
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| InChIKey | JRTXFVXYTLXLLT-UHFFFAOYSA-N |
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| XLogP | 8.79 |
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| TPSA | 55.84 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 575.75 |
| LogP ≤ 5 | 8.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (CID 18474958) is [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is CC1CCC(C(C)(C)c2ccccc2)C(OC(=O)C2C(c3ccccc3)OC(=O)N2C(C)c2cccc3ccccc23)C1.
What is the InChIKey of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is JRTXFVXYTLXLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41NO4/c1-25-22-23-32(38(3,4)29-18-9-6-10-19-29)33(24-25)42-36(40)34-35(28-15-7-5-8-16-28)43-37(41)39(34)26(2)30-21-13-17-27-14-11-12-20-31(27)30/h5-21,25-26,32-35H,22-24H2,1-4H3.
What are the key properties of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 575.75 g/mol, XLogP of 8.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).