(3R,7aS)-3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one - CAS 103201-79-2
Catalog: |
BB001046 |
Product Name: |
(3R,7aS)-3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one |
CAS: |
103201-79-2 |
Synonyms: |
(3R,7aS)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-5-one; (3R,7aS)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one |
IUPAC Name: | (3R,7aS)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one |
Description: | Used in the preparation of Boceprevir and its analogs. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | C1CC(=O)N2C1COC2C3=CC=CC=C3 |
InChI: | InChI=1S/C12H13NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-,12+/m0/s1 |
InChI Key: | OURKKNDNLSPPQY-CMPLNLGQSA-N |
Boiling Point: | 383.2 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
LogP: | 1.64430 |
Publication Number | Title | Priority Date |
WO-2020150372-A1 | Antimicrobial compounds and methods | 20190116 |
WO-2020131807-A1 | Inhibitors of apol1 and methods of using same | 20181217 |
US-2020377479-A1 | Inhibitors of apol1 and methods of using same | 20181217 |
KR-20210116483-A | APOL1 inhibitors and methods of use thereof | 20181217 |
AU-2019214048-A1 | Nitrogenated heterocyclic amide compound, and use thereof for medical purposes | 20180201 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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