(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

C20H19N3O6S — CID 92575832

IUPAC(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H19N3O6S/c24-30(25,15-6-7-16-17(12-15)28-11-10-27-16)23-8-9-26-18(13-23)20-21-19(22-29-20)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2/t18-/m1/s1
InChIKeyNXOUMXRSCYMILO-GOSISDBHSA-N
MW429.45 g/mol
LogP2.27
Rot. Bonds4

About (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 92575832) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID92575832
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H19N3O6S/c24-30(25,15-6-7-16-17(12-15)28-11-10-27-16)23-8-9-26-18(13-23)20-21-19(22-29-20)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2/t18-/m1/s1
InChIKeyNXOUMXRSCYMILO-GOSISDBHSA-N
XLogP2.27
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(3-fluorophenyl)sulfonyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575837
3-(3-chlorophenyl)-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole
CID 121095503
4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 110224506
(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 92568402
(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 92562252
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
CID 110327031
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364061
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-ethylmorpholine
CID 42947765
4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-phenylquinazoline
CID 2563217
4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine
CID 110326793
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
CID 53189148
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 92575832) is (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is NXOUMXRSCYMILO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O6S/c24-30(25,15-6-7-16-17(12-15)28-11-10-27-16)23-8-9-26-18(13-23)20-21-19(22-29-20)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2/t18-/m1/s1.
What are the key properties of (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 429.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 92575832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).