(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C19H21F3N4O5S — CID 90539918

IUPAC(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C19H21F3N4O5S/c20-19(21,22)18-24-23-16(31-18)13-5-7-25(8-6-13)17(27)14-1-3-15(4-2-14)32(28,29)26-9-11-30-12-10-26/h1-4,13H,5-12H2
InChIKeyPZKLNXHPHFXHNO-UHFFFAOYSA-N
MW474.46 g/mol
LogP2.13
Rot. Bonds4

About (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90539918) has the molecular formula C19H21F3N4O5S and a molecular weight of 474.46 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90539918
Molecular FormulaC19H21F3N4O5S
Molecular Weight474.46 g/mol
Exact Mass474.12
IUPAC Name(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C19H21F3N4O5S/c20-19(21,22)18-24-23-16(31-18)13-5-7-25(8-6-13)17(27)14-1-3-15(4-2-14)32(28,29)26-9-11-30-12-10-26/h1-4,13H,5-12H2
InChIKeyPZKLNXHPHFXHNO-UHFFFAOYSA-N
XLogP2.13
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-piperidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539917
(4-nitrophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539870
methyl 4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzoate
CID 90539808
(3,5-dimethylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539839
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2051187
[4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 1453664
5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628864
(3-methoxy-2-methylindazol-6-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539997
(2,4-dichlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539863
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4646426
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90539918) is (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PZKLNXHPHFXHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O5S/c20-19(21,22)18-24-23-16(31-18)13-5-7-25(8-6-13)17(27)14-1-3-15(4-2-14)32(28,29)26-9-11-30-12-10-26/h1-4,13H,5-12H2.
What are the key properties of (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 474.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90539918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).