N-[2-[(4R)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methoxyphenyl]methanesulfonamide - CAS 1192815-26-1
Catalog: |
BB067615 |
Product Name: |
N-[2-[(4R)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methoxyphenyl]methanesulfonamide |
CAS: |
1192815-26-1 |
Synonyms: |
(R)-N-(2-(4-Isopropyl-4,5-dihydrooxazol-2-yl)-6-methoxyphenyl)methanesulfonamide; C125 |
IUPAC Name: | N-[2-methoxy-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide |
Description: | N-[2-[(4R)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methoxyphenyl]methanesulfonamide is used as a catalyst in the total synthesis of halichondrin A and C. |
Molecular Weight: | 312.38 |
Molecular Formula: | C14H20N2O4S |
Canonical SMILES: | CC(C)C1COC(=N1)C2=C(C(=CC=C2)OC)NS(=O)(=O)C |
InChI: | InChI=1S/C14H20N2O4S/c1-9(2)11-8-20-14(15-11)10-6-5-7-12(19-3)13(10)16-21(4,17)18/h5-7,9,11,16H,8H2,1-4H3/t11-/m0/s1 |
InChI Key: | YXGJTTRPXOAJEA-NSHDSACASA-N |
References: | Ueda, A., et al. J. Am. Chem. Soc., 136, 5171 (2014); Yamamoto, A., et al. J. Am. Chem. Soc., 134, 893 (2012). |
Complexity: | 484 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.1143783 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.1143783 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 85.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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