N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

C15H22N2O3S — CID 118056697

IUPACN-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCc1cccc(C2=N[C@@H](CC(C)C)CO2)c1NS(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-10(2)8-12-9-20-15(16-12)13-7-5-6-11(3)14(13)17-21(4,18)19/h5-7,10,12,17H,8-9H2,1-4H3/t12-/m0/s1
InChIKeyDYKQGKKDUHPZCJ-LBPRGKRZSA-N
MW310.42 g/mol
LogP2.56
Rot. Bonds5

About N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide (PubChem CID 118056697) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
PubChem CID118056697
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCc1cccc(C2=N[C@@H](CC(C)C)CO2)c1NS(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-10(2)8-12-9-20-15(16-12)13-7-5-6-11(3)14(13)17-21(4,18)19/h5-7,10,12,17H,8-9H2,1-4H3/t12-/m0/s1
InChIKeyDYKQGKKDUHPZCJ-LBPRGKRZSA-N
XLogP2.56
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide (CID 118056697) is N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide is Cc1cccc(C2=N[C@@H](CC(C)C)CO2)c1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The InChIKey is DYKQGKKDUHPZCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(2)8-12-9-20-15(16-12)13-7-5-6-11(3)14(13)17-21(4,18)19/h5-7,10,12,17H,8-9H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 118056697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).