2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine

C19H17F2N3O4S — CID 46956764

IUPAC2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc(F)c1)N1CCOC(c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C19H17F2N3O4S/c20-14-5-3-6-15(11-14)29(25,26)24-8-9-27-17(12-24)19-22-18(23-28-19)10-13-4-1-2-7-16(13)21/h1-7,11,17H,8-10,12H2
InChIKeyCVCZTLOKPMOXPK-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.70
Rot. Bonds5

About 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine

2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine (PubChem CID 46956764) has the molecular formula C19H17F2N3O4S and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine
PubChem CID46956764
Molecular FormulaC19H17F2N3O4S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc(F)c1)N1CCOC(c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C19H17F2N3O4S/c20-14-5-3-6-15(11-14)29(25,26)24-8-9-27-17(12-24)19-22-18(23-28-19)10-13-4-1-2-7-16(13)21/h1-7,11,17H,8-10,12H2
InChIKeyCVCZTLOKPMOXPK-UHFFFAOYSA-N
XLogP2.70
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.70
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
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 46956767
3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92573009
(2R)-4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 124978418
4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246297
[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 110242986
2-(2-fluorophenyl)-4-(3-methylphenyl)sulfonylmorpholine
CID 110326724
4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105191
(2,3-dimethyl-1H-indol-4-yl)-[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 110242989
(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 92562252
3-tert-butyl-5-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110224431
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575832

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine (CID 46956764) is 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine is O=S(=O)(c1cccc(F)c1)N1CCOC(c2nc(Cc3ccccc3F)no2)C1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine?
The InChIKey is CVCZTLOKPMOXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4S/c20-14-5-3-6-15(11-14)29(25,26)24-8-9-27-17(12-24)19-22-18(23-28-19)10-13-4-1-2-7-16(13)21/h1-7,11,17H,8-10,12H2.
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine?
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine has a molecular weight of 421.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)sulfonylmorpholine is sourced from PubChem (CID 46956764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).