3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile

C19H16N4O4S — CID 97344849

IUPAC3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H16N4O4S/c20-12-14-5-4-8-16(11-14)28(24,25)23-9-10-26-13-17(23)18-21-19(27-22-18)15-6-2-1-3-7-15/h1-8,11,17H,9-10,13H2/t17-/m0/s1
InChIKeyOAXALXHFBSAHSP-KRWDZBQOSA-N
MW396.43 g/mol
LogP2.37
Rot. Bonds4

About 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile

3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile (PubChem CID 97344849) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile
PubChem CID97344849
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H16N4O4S/c20-12-14-5-4-8-16(11-14)28(24,25)23-9-10-26-13-17(23)18-21-19(27-22-18)15-6-2-1-3-7-15/h1-8,11,17H,9-10,13H2/t17-/m0/s1
InChIKeyOAXALXHFBSAHSP-KRWDZBQOSA-N
XLogP2.37
TPSA109.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-4-(4-ethylphenyl)sulfonyl-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345908
morpholin-4-yl-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344845
(3R)-4-(2-methoxyethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344632
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557
3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 129385924
(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97345900
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345291
3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 35406577
(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344824
3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 17490293
(2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474993
[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 75474989

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile?
The IUPAC name of 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile (CID 97344849) is 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile.
What is the SMILES notation for 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile?
The canonical SMILES for 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile is N#Cc1cccc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile?
The InChIKey is OAXALXHFBSAHSP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16N4O4S/c20-12-14-5-4-8-16(11-14)28(24,25)23-9-10-26-13-17(23)18-21-19(27-22-18)15-6-2-1-3-7-15/h1-8,11,17H,9-10,13H2/t17-/m0/s1.
What are the key properties of 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile?
3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile has a molecular weight of 396.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile is sourced from PubChem (CID 97344849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).