N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide

C13H16N2O3S — CID 110402127

IUPACN-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1oncc1-c1ccccc1
InChIInChI=1S/C13H16N2O3S/c1-2-3-9-19(16,17)15-13-12(10-14-18-13)11-7-5-4-6-8-11/h4-8,10,15H,2-3,9H2,1H3
InChIKeyRRXOUMBWYNNBJX-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.88
Rot. Bonds6

About N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide

N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide (PubChem CID 110402127) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide
PubChem CID110402127
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1oncc1-c1ccccc1
InChIInChI=1S/C13H16N2O3S/c1-2-3-9-19(16,17)15-13-12(10-14-18-13)11-7-5-4-6-8-11/h4-8,10,15H,2-3,9H2,1H3
InChIKeyRRXOUMBWYNNBJX-UHFFFAOYSA-N
XLogP2.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
CID 110402437
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
CID 110402597
3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 110402160
5-chloro-N-(4-phenyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 110402158
oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
CID 175405925
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
CID 22202442
N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 173327955
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide
CID 6465435
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide
CID 108780563

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide?
The IUPAC name of N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide (CID 110402127) is N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1oncc1-c1ccccc1.
What is the InChIKey of N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide?
The InChIKey is RRXOUMBWYNNBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-3-9-19(16,17)15-13-12(10-14-18-13)11-7-5-4-6-8-11/h4-8,10,15H,2-3,9H2,1H3.
What are the key properties of N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide?
N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,2-oxazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 110402127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).