4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide

C18H16N2O3S — CID 20959112

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H16N2O3S/c21-24(22,20-15-4-2-1-3-5-15)16-10-8-13(9-11-16)17-12-19-18(23-17)14-6-7-14/h1-5,8-12,14,20H,6-7H2
InChIKeyAUFGNLWLQGSDHT-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.02
Rot. Bonds5

About 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide (PubChem CID 20959112) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide
PubChem CID20959112
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H16N2O3S/c21-24(22,20-15-4-2-1-3-5-15)16-10-8-13(9-11-16)17-12-19-18(23-17)14-6-7-14/h1-5,8-12,14,20H,6-7H2
InChIKeyAUFGNLWLQGSDHT-UHFFFAOYSA-N
XLogP4.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 91595667
N1-[4-(1,3-oxazol-5-yl)phenyl]benzene-1-sulfonamide
CID 2806353
4-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
CID 5329850
4-(2-Cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187162
4-(2-Cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187163
4-[2-(Morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 122187165
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
Pyridinium, 1-methyl-4-(5-phenyl-2-oxazolyl)-, p-toluenesulfonate
CID 3058220
N-piperidin-4-yl-5-(4-sulfamoylphenyl)-1,3-oxazole-2-carboxamide
CID 155527975
4-[2-(4-Aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 155551316
N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
CID 4789558
(R)-N-[4-[2-[[2-Hydroxy-2-(Pyridin-3-Yl)Ethyl]Amino]-Ethyl]Phenyl]-4-[2-(2-Cyclopentylethyl)Oxazol-5-Yl]Benzenesulfonamide
CID 10099346

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide (CID 20959112) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide?
The InChIKey is AUFGNLWLQGSDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-24(22,20-15-4-2-1-3-5-15)16-10-8-13(9-11-16)17-12-19-18(23-17)14-6-7-14/h1-5,8-12,14,20H,6-7H2.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 20959112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).