N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide

C20H21FN2O3S — CID 110641168

IUPACN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1nc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C20H21FN2O3S/c1-14-5-3-4-6-17(14)13-27(24,25)22-12-11-19-15(2)26-20(23-19)16-7-9-18(21)10-8-16/h3-10,22H,11-13H2,1-2H3
InChIKeyYIJABCVQCLZVGW-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.76
Rot. Bonds7

About N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110641168) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110641168
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1nc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C20H21FN2O3S/c1-14-5-3-4-6-17(14)13-27(24,25)22-12-11-19-15(2)26-20(23-19)16-7-9-18(21)10-8-16/h3-10,22H,11-13H2,1-2H3
InChIKeyYIJABCVQCLZVGW-UHFFFAOYSA-N
XLogP3.76
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide
CID 110641069
4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
CID 110415379
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110321992
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
CID 110641282
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
CID 110641138
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641283

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110641168) is N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCc1nc(-c2ccc(F)cc2)oc1C.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is YIJABCVQCLZVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-14-5-3-4-6-17(14)13-27(24,25)22-12-11-19-15(2)26-20(23-19)16-7-9-18(21)10-8-16/h3-10,22H,11-13H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 388.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110641168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).