2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide

C18H17FN2O3S — CID 173207014

IUPAC2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCCCc1onc(-c2ccc(F)cc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C18H17FN2O3S/c1-2-5-15-17(14-6-3-4-7-16(14)25(20,22)23)18(21-24-15)12-8-10-13(19)11-9-12/h3-4,6-11H,2,5H2,1H3,(H2,20,22,23)
InChIKeyJREXYANZCCPXTK-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.75
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide

2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 173207014) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID173207014
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCCCc1onc(-c2ccc(F)cc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C18H17FN2O3S/c1-2-5-15-17(14-6-3-4-7-16(14)25(20,22)23)18(21-24-15)12-8-10-13(19)11-9-12/h3-4,6-11H,2,5H2,1H3,(H2,20,22,23)
InChIKeyJREXYANZCCPXTK-UHFFFAOYSA-N
XLogP3.75
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(carbamothioic S-acid);2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide;methane;hydrate
CID 173207013
2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594995
2-[3-(4-chlorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207565
2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67560551
2-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594923
bis(carbamothioic S-acid);2-[4-(4-fluorophenyl)-5-propylfuran-3-yl]benzenesulfonamide;methane;hydrate
CID 173207155
2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594883
4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide
CID 87973487
2-[2-(4-fluorophenyl)phenyl]benzenesulfonamide
CID 23217342
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594963

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 173207014) is 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide is CCCc1onc(-c2ccc(F)cc2)c1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is JREXYANZCCPXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-2-5-15-17(14-6-3-4-7-16(14)25(20,22)23)18(21-24-15)12-8-10-13(19)11-9-12/h3-4,6-11H,2,5H2,1H3,(H2,20,22,23).
What are the key properties of 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide?
2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 173207014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).