2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide

C18H18N2O3S — CID 67594995

IUPAC2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCCCc1onc(-c2ccccc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C18H18N2O3S/c1-2-8-15-17(14-11-6-7-12-16(14)24(19,21)22)18(20-23-15)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H2,19,21,22)
InChIKeyGXMNSQAPXXIHLP-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.61
Rot. Bonds5

About 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide

2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 67594995) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID67594995
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCCCc1onc(-c2ccccc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C18H18N2O3S/c1-2-8-15-17(14-11-6-7-12-16(14)24(19,21)22)18(20-23-15)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H2,19,21,22)
InChIKeyGXMNSQAPXXIHLP-UHFFFAOYSA-N
XLogP3.61
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207565
2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207014
bis(carbamothioic S-acid);2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide;methane;hydrate
CID 173207013
2-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594923
2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594883
2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 67597127
2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide
CID 67613413
2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67560551
4-[3-(3,4-dichlorophenyl)-4-(2-sulfamoylphenyl)-1,2-oxazol-5-yl]-N-hydroxybutanamide
CID 87973487
2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide
CID 70207331
3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid
CID 67695683
5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 59810471

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 67594995) is 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide is CCCc1onc(-c2ccccc2)c1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is GXMNSQAPXXIHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-2-8-15-17(14-11-6-7-12-16(14)24(19,21)22)18(20-23-15)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H2,19,21,22).
What are the key properties of 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide?
2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 67594995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).