2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane

C21H21FN4O4S — CID 91912527

IUPAC2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C21H21FN4O4S/c22-17-3-1-2-4-18(17)31(27,28)26-13-16(21(14-26)7-11-29-12-8-21)20-25-24-19(30-20)15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-14H2
InChIKeyQHCXZBQCOWPKCU-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane

2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 91912527) has the molecular formula C21H21FN4O4S and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane
PubChem CID91912527
Molecular FormulaC21H21FN4O4S
Molecular Weight444.49 g/mol
Exact Mass444.13
IUPAC Name2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C21H21FN4O4S/c22-17-3-1-2-4-18(17)31(27,28)26-13-16(21(14-26)7-11-29-12-8-21)20-25-24-19(30-20)15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-14H2
InChIKeyQHCXZBQCOWPKCU-UHFFFAOYSA-N
XLogP2.86
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

{[3-(5-(3-Pyridyl)-1,3,4-oxadiazol-2-yl)phenyl]sulfonyl}piperidine
CID 1117979
2-(2,5-Difluorobenzoyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912520
3-(5-{3-[(4-Methyl-1-piperidinyl)sulfonyl]phenyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 1293454
2-(4-Fluorophenyl)-5-(1-(pyridin-3-ylsulfonyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 44062264
2-(4-Fluorobenzenesulfonyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912505
2-(2-Fluorobenzoyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912506
2-(4-Fluorobenzoyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912509
2-(3,4-Difluorobenzoyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912513
2-(3-Fluorophenyl)-1-{4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decan-2-YL}ethan-1-one
CID 91912514
2-(3,5-Difluorobenzoyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912515
N-(2-Fluorophenyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 91912516
2-(4-Fluorophenyl)-1-{4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decan-2-YL}ethan-1-one
CID 91912524

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane (CID 91912527) is 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane is O=S(=O)(c1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is QHCXZBQCOWPKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4S/c22-17-3-1-2-4-18(17)31(27,28)26-13-16(21(14-26)7-11-29-12-8-21)20-25-24-19(30-20)15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-14H2.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane?
2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 444.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 91912527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).