(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

C16H21N3O5S — CID 129342891

IUPAC(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCc1cccc(C)c1OCc1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1
InChIInChI=1S/C16H21N3O5S/c1-11-5-4-6-12(2)15(11)23-10-14-17-18-16(24-14)13-9-19(7-8-22-13)25(3,20)21/h4-6,13H,7-10H2,1-3H3/t13-/m1/s1
InChIKeyVLGLSKLDKFPIKK-CYBMUJFWSA-N
MW367.43 g/mol
LogP1.60
Rot. Bonds5

About (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 129342891) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID129342891
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCc1cccc(C)c1OCc1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1
InChIInChI=1S/C16H21N3O5S/c1-11-5-4-6-12(2)15(11)23-10-14-17-18-16(24-14)13-9-19(7-8-22-13)25(3,20)21/h4-6,13H,7-10H2,1-3H3/t13-/m1/s1
InChIKeyVLGLSKLDKFPIKK-CYBMUJFWSA-N
XLogP1.60
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 129342891) is (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is Cc1cccc(C)c1OCc1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1.
What is the InChIKey of (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is VLGLSKLDKFPIKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-11-5-4-6-12(2)15(11)23-10-14-17-18-16(24-14)13-9-19(7-8-22-13)25(3,20)21/h4-6,13H,7-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine has a molecular weight of 367.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 129342891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).