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

C13H15ClN2O3S — CID 110714894

IUPAC1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H15ClN2O3S/c1-9-13(19-10(2)16-9)7-15-20(17,18)8-11-3-5-12(14)6-4-11/h3-6,15H,7-8H2,1-2H3
InChIKeyJLZJISUEFOUEQL-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.56
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide (PubChem CID 110714894) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
PubChem CID110714894
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H15ClN2O3S/c1-9-13(19-10(2)16-9)7-15-20(17,18)8-11-3-5-12(14)6-4-11/h3-6,15H,7-8H2,1-2H3
InChIKeyJLZJISUEFOUEQL-UHFFFAOYSA-N
XLogP2.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide
CID 110714789
3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110714870
1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide
CID 110352103
1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739044
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
CID 110716513
1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 110604340
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
CID 122356387

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide (CID 110714894) is 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide is Cc1nc(C)c(CNS(=O)(=O)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The InChIKey is JLZJISUEFOUEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-9-13(19-10(2)16-9)7-15-20(17,18)8-11-3-5-12(14)6-4-11/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide has a molecular weight of 314.79 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 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110714894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).