4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide

C13H17N3O4S — CID 82916625

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide
SMILESCCc1nc(COc2cc(C)c(S(N)(=O)=O)c(C)c2)no1
InChIInChI=1S/C13H17N3O4S/c1-4-12-15-11(16-20-12)7-19-10-5-8(2)13(9(3)6-10)21(14,17)18/h5-6H,4,7H2,1-3H3,(H2,14,17,18)
InChIKeyYCRAZKAJQHHNRV-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.48
Rot. Bonds5

About 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide (PubChem CID 82916625) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide
PubChem CID82916625
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide
SMILESCCc1nc(COc2cc(C)c(S(N)(=O)=O)c(C)c2)no1
InChIInChI=1S/C13H17N3O4S/c1-4-12-15-11(16-20-12)7-19-10-5-8(2)13(9(3)6-10)21(14,17)18/h5-6H,4,7H2,1-3H3,(H2,14,17,18)
InChIKeyYCRAZKAJQHHNRV-UHFFFAOYSA-N
XLogP1.48
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 82917133
3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 52734301
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 54959294
1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
[3,5-dibromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 107741561
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
[5-bromo-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]methanamine
CID 112619754
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 61497109
5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
CID 102847040

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide (CID 82916625) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide is CCc1nc(COc2cc(C)c(S(N)(=O)=O)c(C)c2)no1.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide?
The InChIKey is YCRAZKAJQHHNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-4-12-15-11(16-20-12)7-19-10-5-8(2)13(9(3)6-10)21(14,17)18/h5-6H,4,7H2,1-3H3,(H2,14,17,18).
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 82916625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).