3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide

C20H20N2O4S — CID 34237447

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3cccc(S(C)(=O)=O)c3)o2)cc1
InChIInChI=1S/C20H20N2O4S/c1-14-6-8-15(9-7-14)18-13-21-20(26-18)11-10-19(23)22-16-4-3-5-17(12-16)27(2,24)25/h3-9,12-13H,10-11H2,1-2H3,(H,22,23)
InChIKeyXZWWJLOQYINVDN-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.62
Rot. Bonds6

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide (PubChem CID 34237447) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide
PubChem CID34237447
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3cccc(S(C)(=O)=O)c3)o2)cc1
InChIInChI=1S/C20H20N2O4S/c1-14-6-8-15(9-7-14)18-13-21-20(26-18)11-10-19(23)22-16-4-3-5-17(12-16)27(2,24)25/h3-9,12-13H,10-11H2,1-2H3,(H,22,23)
InChIKeyXZWWJLOQYINVDN-UHFFFAOYSA-N
XLogP3.62
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide
CID 60530520
N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24612056
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46690874
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 55867560
N-[4-(methoxymethyl)phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119049686
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 42209194
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 38404443

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide (CID 34237447) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(S(C)(=O)=O)c3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide?
The InChIKey is XZWWJLOQYINVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-6-8-15(9-7-14)18-13-21-20(26-18)11-10-19(23)22-16-4-3-5-17(12-16)27(2,24)25/h3-9,12-13H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide has a molecular weight of 384.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 34237447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).