About [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride (PubChem CID 11179672) has the molecular formula C22H25ClFN7O4
and a molecular weight of 505.94 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride.
Molecular Properties
| Compound Name | [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride |
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| PubChem CID | 11179672 |
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| Molecular Formula | C22H25ClFN7O4 |
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| Molecular Weight | 505.94 g/mol |
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| Exact Mass | 505.16 |
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| IUPAC Name | [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride |
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| SMILES | CC(C)[C@H](N)C(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.Cl |
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| InChI | InChI=1S/C22H24FN7O4.ClH/c1-12(2)19(24)21(31)33-11-15-10-30(22(32)34-15)14-5-6-16(17(23)8-14)13-4-7-18(25-9-13)20-26-28-29(3)27-20;/h4-9,12,15,19H,10-11,24H2,1-3H3;1H/t15-,19+;/m1./s1 |
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| InChIKey | ZDSQEBVVKTZIQP-WSCVZUBPSA-N |
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| XLogP | 2.35 |
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| TPSA | 138.35 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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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 | 505.94 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride with MolForge
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Frequently Asked Questions
What is the IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride?
The IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride (CID 11179672) is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride.
What is the SMILES notation for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride?
The canonical SMILES for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride is CC(C)[C@H](N)C(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.Cl.
What is the InChIKey of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride?
The InChIKey is ZDSQEBVVKTZIQP-WSCVZUBPSA-N. The full InChI is InChI=1S/C22H24FN7O4.ClH/c1-12(2)19(24)21(31)33-11-15-10-30(22(32)34-15)14-5-6-16(17(23)8-14)13-4-7-18(25-9-13)20-26-28-29(3)27-20;/h4-9,12,15,19H,10-11,24H2,1-3H3;1H/t15-,19+;/m1./s1.
What are the key properties of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride?
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride has a molecular weight of 505.94 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 11179672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).