N-[2-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methylphenyl]methanesulfonamide - CAS 480444-15-3
Catalog: |
BB067167 |
Product Name: |
N-[2-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methylphenyl]methanesulfonamide |
CAS: |
480444-15-3 |
Synonyms: |
(S)-N-(2-(4-isopropyl-4,5-dihydrooxazol-2-yl)-6-methylphenyl)methanesulfonamide; (4S)-2-[2-(Mesylamino)-3-methylphenyl]-4beta-isopropyl-2-oxazoline; N-[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide; (Methanesulfonamide,N-[2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methylphenyl]- ) |
IUPAC Name: | N-[2-methyl-6-[(4S)-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-methylphenyl]methanesulfonamide, is a buliding block used in synthesis of various compounds such as Carolacton, a highly potent biofilm inhibitor. |
Molecular Weight: | 296.39 |
Molecular Formula: | C14H20N2O3S |
Canonical SMILES: | CC1=C(C(=CC=C1)C2=NC(CO2)C(C)C)NS(=O)(=O)C |
InChI: | InChI=1S/C14H20N2O3S/c1-9(2)12-8-19-14(15-12)11-7-5-6-10(3)13(11)16-20(4,17)18/h5-7,9,12,16H,8H2,1-4H3/t12-/m1/s1 |
InChI Key: | KCLDECJIUSCXOX-GFCCVEGCSA-N |
References: | Choi, H., et al. PURE APPL CHEM., 75, 1-17 (2003). |
Complexity: | 467 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.11946368 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.11946368 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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