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

C19H19FN2O3S — CID 110415378

IUPACN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3F)oc2C)cc1
InChIInChI=1S/C19H19FN2O3S/c1-13-7-9-15(10-8-13)26(23,24)21-12-11-18-14(2)25-19(22-18)16-5-3-4-6-17(16)20/h3-10,21H,11-12H2,1-2H3
InChIKeyMCLWHHLDVIAAAE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds6

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

N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 110415378) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide
PubChem CID110415378
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC NameN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3F)oc2C)cc1
InChIInChI=1S/C19H19FN2O3S/c1-13-7-9-15(10-8-13)26(23,24)21-12-11-18-14(2)25-19(22-18)16-5-3-4-6-17(16)20/h3-10,21H,11-12H2,1-2H3
InChIKeyMCLWHHLDVIAAAE-UHFFFAOYSA-N
XLogP3.62
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
CID 110415379
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
CID 110641282
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641283
4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
CID 20955410
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110415497
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid
CID 11611667
3-chloro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641258
4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110641056

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide (CID 110415378) is N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3F)oc2C)cc1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is MCLWHHLDVIAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-13-7-9-15(10-8-13)26(23,24)21-12-11-18-14(2)25-19(22-18)16-5-3-4-6-17(16)20/h3-10,21H,11-12H2,1-2H3.
What are the key properties of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 374.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110415378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).