5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole

C15H18N2O5S — CID 97063724

IUPAC5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CS(=O)(=O)C[C@@H]3CCCO3)no2)cc1
InChIInChI=1S/C15H18N2O5S/c1-20-12-6-4-11(5-7-12)15-16-14(17-22-15)10-23(18,19)9-13-3-2-8-21-13/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyWUVMLYWBSWSDAT-ZDUSSCGKSA-N
MW338.38 g/mol
LogP1.84
Rot. Bonds6

About 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole

5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 97063724) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole
PubChem CID97063724
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CS(=O)(=O)C[C@@H]3CCCO3)no2)cc1
InChIInChI=1S/C15H18N2O5S/c1-20-12-6-4-11(5-7-12)15-16-14(17-22-15)10-23(18,19)9-13-3-2-8-21-13/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyWUVMLYWBSWSDAT-ZDUSSCGKSA-N
XLogP1.84
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-methylphenyl)-3-(oxolan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
CID 53498142
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate
CID 95276513
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-[(2R)-oxan-2-yl]methanamine
CID 95761789
3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine
CID 167911690
2-methoxy-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63744295
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(oxolan-2-ylmethyl)acetamide
CID 20860705
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758011
[4-methoxy-3-(oxolan-2-ylmethylsulfonylmethyl)phenyl]methanamine
CID 106496038
methyl 3-bromo-4-(oxolan-2-ylmethylsulfonylmethyl)benzoate
CID 106493670

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole (CID 97063724) is 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(CS(=O)(=O)C[C@@H]3CCCO3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is WUVMLYWBSWSDAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-20-12-6-4-11(5-7-12)15-16-14(17-22-15)10-23(18,19)9-13-3-2-8-21-13/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1.
What are the key properties of 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 338.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97063724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).