N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide

C20H22ClN3O3S — CID 42276705

IUPACN-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCc1oc(-c2ccccc2NS(C)(=O)=O)nc1CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-14-19(13-24(2)12-15-8-10-16(21)11-9-15)22-20(27-14)17-6-4-5-7-18(17)23-28(3,25)26/h4-11,23H,12-13H2,1-3H3
InChIKeyCTWLGRGTPGJIGA-UHFFFAOYSA-N
MW419.93 g/mol
LogP4.31
Rot. Bonds7

About N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide

N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide (PubChem CID 42276705) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide
PubChem CID42276705
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC NameN-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCc1oc(-c2ccccc2NS(C)(=O)=O)nc1CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-14-19(13-24(2)12-15-8-10-16(21)11-9-15)22-20(27-14)17-6-4-5-7-18(17)23-28(3,25)26/h4-11,23H,12-13H2,1-3H3
InChIKeyCTWLGRGTPGJIGA-UHFFFAOYSA-N
XLogP4.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide (CID 42276705) is N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide is Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The InChIKey is CTWLGRGTPGJIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-14-19(13-24(2)12-15-8-10-16(21)11-9-15)22-20(27-14)17-6-4-5-7-18(17)23-28(3,25)26/h4-11,23H,12-13H2,1-3H3.
What are the key properties of N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 419.93 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 42276705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).