N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide

C13H16N2O3S — CID 110314681

IUPACN-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H16N2O3S/c1-2-19(16,17)14-9-8-12-10-13(18-15-12)11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3
InChIKeyJMYXTEDMQSYGSE-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide

N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 110314681) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
PubChem CID110314681
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H16N2O3S/c1-2-19(16,17)14-9-8-12-10-13(18-15-12)11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3
InChIKeyJMYXTEDMQSYGSE-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide
CID 110314851
5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110314704
N-[4-[2-(5-phenyl-1,2-oxazol-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 110314714
4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314691
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide
CID 110314836
2-methoxy-5-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314695
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea
CID 110314655
3-acetamido-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110633970
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine
CID 110634027
1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
CID 170889270
2,3-dimethyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]quinoxaline-6-carboxamide
CID 110312475

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide (CID 110314681) is N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is JMYXTEDMQSYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-19(16,17)14-9-8-12-10-13(18-15-12)11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3.
What are the key properties of N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide?
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110314681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).