(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine

C19H19N3O4S — CID 92562252

IUPAC(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCc1ccccc1-c1noc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1
InChIInChI=1S/C19H19N3O4S/c1-14-7-5-6-10-16(14)18-20-19(26-21-18)17-13-22(11-12-25-17)27(23,24)15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3/t17-/m0/s1
InChIKeyXGMQYODOFBMGFA-KRWDZBQOSA-N
MW385.45 g/mol
LogP2.81
Rot. Bonds4

About (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine

(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 92562252) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID92562252
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCc1ccccc1-c1noc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1
InChIInChI=1S/C19H19N3O4S/c1-14-7-5-6-10-16(14)18-20-19(26-21-18)17-13-22(11-12-25-17)27(23,24)15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3/t17-/m0/s1
InChIKeyXGMQYODOFBMGFA-KRWDZBQOSA-N
XLogP2.81
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(3-fluorophenyl)sulfonyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575837
5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 27543125
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575832
3-(2-methylphenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 99130325
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2986760
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 53206099
(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 92568402
4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 110224506
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
CID 110242901
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine
CID 46956764

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 92562252) is (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine is Cc1ccccc1-c1noc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1.
What is the InChIKey of (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is XGMQYODOFBMGFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-14-7-5-6-10-16(14)18-20-19(26-21-18)17-13-22(11-12-25-17)27(23,24)15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 385.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 92562252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).