HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 70817543Generated: October 30, 2026
(2R)-4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-1-yl]-2-methyl-2-(methylsulfonyl)butanoic acid
https://huagongshe.com/en/chemical/70817543
Identifiers & Physical Properties
| Molecular formula | C16H17N3O5S |
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| Average molar mass | 363.4 g/mol |
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| Monoisotopic mass | 363.08889182 g/mol |
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| SMILES | C[C@@](CCn1cc(-c2nc3ccccc3o2)cn1)(C(=O)O)S(C)(=O)=O |
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| InChIKey | RNADFNBQTRTHBB-MRXNPFEDSA-N |
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| PubChem CID | 70817543 |
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Chemical & Physical Properties
| XLogP | 1.2 |
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| Topological polar surface area | 124 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 607 |
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![(2R)-4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-1-yl]-2-methyl-2-(methylsulfonyl)butanoic acid molecular structure](/img/chemical/70817543.png)