N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide

C10H11N3O3S — CID 4976105

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H11N3O3S/c1-17(14,15)11-7-9-12-10(13-16-9)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
InChIKeyYOYDYLFRICGGBO-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.79
Rot. Bonds4

About N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide (PubChem CID 4976105) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
PubChem CID4976105
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H11N3O3S/c1-17(14,15)11-7-9-12-10(13-16-9)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
InChIKeyYOYDYLFRICGGBO-UHFFFAOYSA-N
XLogP0.79
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide
CID 110322590
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575
3,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110322596
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484
5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583
4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 100761906
2-(methanesulfonamido)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70716129
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 119041788
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylethanesulfonamide
CID 110322890

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide (CID 4976105) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide is CS(=O)(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The InChIKey is YOYDYLFRICGGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-17(14,15)11-7-9-12-10(13-16-9)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide has a molecular weight of 253.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 4976105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).