N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide

C20H22N2O4S — CID 53051081

IUPACN-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccccc1-c1nc(CN(C)S(=O)(=O)c2ccc(C)cc2)c(C)o1
InChIInChI=1S/C20H22N2O4S/c1-14-9-11-16(12-10-14)27(23,24)22(3)13-18-15(2)26-20(21-18)17-7-5-6-8-19(17)25-4/h5-12H,13H2,1-4H3
InChIKeyMNYDRXBWSNBHTA-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.79
Rot. Bonds6

About N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide

N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 53051081) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
PubChem CID53051081
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccccc1-c1nc(CN(C)S(=O)(=O)c2ccc(C)cc2)c(C)o1
InChIInChI=1S/C20H22N2O4S/c1-14-9-11-16(12-10-14)27(23,24)22(3)13-18-15(2)26-20(21-18)17-7-5-6-8-19(17)25-4/h5-12H,13H2,1-4H3
InChIKeyMNYDRXBWSNBHTA-UHFFFAOYSA-N
XLogP3.79
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylbenzenesulfonamide
CID 53051082
4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807
4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
CID 53051089
N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53132888
4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24623442
2-(2-methoxyphenyl)-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53053460
N-[2-[4-[[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide
CID 42276743
4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053463
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 110612399
N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110424650
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
3-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
CID 56745585

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide (CID 53051081) is N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide is COc1ccccc1-c1nc(CN(C)S(=O)(=O)c2ccc(C)cc2)c(C)o1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is MNYDRXBWSNBHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-9-11-16(12-10-14)27(23,24)22(3)13-18-15(2)26-20(21-18)17-7-5-6-8-19(17)25-4/h5-12H,13H2,1-4H3.
What are the key properties of N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide?
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 53051081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).