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

C22H21FN4O3 — CID 91912506

IUPAC(2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C22H21FN4O3/c23-18-4-2-1-3-16(18)21(28)27-13-17(22(14-27)7-11-29-12-8-22)20-26-25-19(30-20)15-5-9-24-10-6-15/h1-6,9-10,17H,7-8,11-14H2
InChIKeyBMUPBSFZKAEDFC-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.31
Rot. Bonds3

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

(2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912506) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912506
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name(2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C22H21FN4O3/c23-18-4-2-1-3-16(18)21(28)27-13-17(22(14-27)7-11-29-12-8-22)20-26-25-19(30-20)15-5-9-24-10-6-15/h1-6,9-10,17H,7-8,11-14H2
InChIKeyBMUPBSFZKAEDFC-UHFFFAOYSA-N
XLogP3.31
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912506) is (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is O=C(c1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.
What is the InChIKey of (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is BMUPBSFZKAEDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-18-4-2-1-3-16(18)21(28)27-13-17(22(14-27)7-11-29-12-8-22)20-26-25-19(30-20)15-5-9-24-10-6-15/h1-6,9-10,17H,7-8,11-14H2.
What are the key properties of (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 408.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91912506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).