3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole

C17H15ClN2O5S — CID 99806573

IUPAC3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole
SMILESCOc1cc(COc2nc(-c3ccccc3Cl)no2)ccc1S(C)(=O)=O
InChIInChI=1S/C17H15ClN2O5S/c1-23-14-9-11(7-8-15(14)26(2,21)22)10-24-17-19-16(20-25-17)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3
InChIKeyFAMYDKPVKYSVBF-UHFFFAOYSA-N
MW394.84 g/mol
LogP3.38
Rot. Bonds6

About 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole (PubChem CID 99806573) has the molecular formula C17H15ClN2O5S and a molecular weight of 394.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole
PubChem CID99806573
Molecular FormulaC17H15ClN2O5S
Molecular Weight394.84 g/mol
Exact Mass394.04
IUPAC Name3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole
SMILESCOc1cc(COc2nc(-c3ccccc3Cl)no2)ccc1S(C)(=O)=O
InChIInChI=1S/C17H15ClN2O5S/c1-23-14-9-11(7-8-15(14)26(2,21)22)10-24-17-19-16(20-25-17)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3
InChIKeyFAMYDKPVKYSVBF-UHFFFAOYSA-N
XLogP3.38
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole
CID 136551887
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide
CID 71852257
2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline
CID 23735721
3-(2-chlorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxy]-1,2,4-oxadiazole
CID 60619321
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 50875032
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethyl-4-methoxybenzenesulfonamide
CID 66485547
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 66485528
2,4-dimethoxy-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322786
3-(2-chlorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1,2,4-oxadiazole
CID 60619386
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836
3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 30849069
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 4896075

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole (CID 99806573) is 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole is COc1cc(COc2nc(-c3ccccc3Cl)no2)ccc1S(C)(=O)=O.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole?
The InChIKey is FAMYDKPVKYSVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S/c1-23-14-9-11(7-8-15(14)26(2,21)22)10-24-17-19-16(20-25-17)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole has a molecular weight of 394.84 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole is sourced from PubChem (CID 99806573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).