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]- )

Technical Data

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:	76.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2