(2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine

C17H23N3O6S — CID 129327274

IUPAC(2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine
SMILESCCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(OCCOC)cc3)CCO2)o1
InChIInChI=1S/C17H23N3O6S/c1-3-16-18-19-17(26-16)15-12-20(8-9-25-15)27(21,22)14-6-4-13(5-7-14)24-11-10-23-2/h4-7,15H,3,8-12H2,1-2H3/t15-/m1/s1
InChIKeyROOGKLCXLMZAKX-OAHLLOKOSA-N
MW397.45 g/mol
LogP1.42
Rot. Bonds8

About (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine

(2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine (PubChem CID 129327274) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine
PubChem CID129327274
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name(2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine
SMILESCCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(OCCOC)cc3)CCO2)o1
InChIInChI=1S/C17H23N3O6S/c1-3-16-18-19-17(26-16)15-12-20(8-9-25-15)27(21,22)14-6-4-13(5-7-14)24-11-10-23-2/h4-7,15H,3,8-12H2,1-2H3/t15-/m1/s1
InChIKeyROOGKLCXLMZAKX-OAHLLOKOSA-N
XLogP1.42
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129335247
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-(4-methoxyphenyl)sulfonylmorpholine
CID 155507407
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
3-[4-(4-methoxyphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 110112775
(2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129328175
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129342891
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine
CID 129338185
(3S,4R)-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine?
The IUPAC name of (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine (CID 129327274) is (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine.
What is the SMILES notation for (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine?
The canonical SMILES for (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine is CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(OCCOC)cc3)CCO2)o1.
What is the InChIKey of (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine?
The InChIKey is ROOGKLCXLMZAKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-3-16-18-19-17(26-16)15-12-20(8-9-25-15)27(21,22)14-6-4-13(5-7-14)24-11-10-23-2/h4-7,15H,3,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine?
(2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine has a molecular weight of 397.45 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine is sourced from PubChem (CID 129327274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).