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

C22H20F2N4O3 — CID 91912513

IUPAC(3,4-difluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C22H20F2N4O3/c23-17-2-1-15(11-18(17)24)21(29)28-12-16(22(13-28)5-9-30-10-6-22)20-27-26-19(31-20)14-3-7-25-8-4-14/h1-4,7-8,11,16H,5-6,9-10,12-13H2
InChIKeyNHQNRPFTVDYHQN-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.45
Rot. Bonds3

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

(3,4-difluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912513) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[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(3,4-difluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912513
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC Name(3,4-difluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C22H20F2N4O3/c23-17-2-1-15(11-18(17)24)21(29)28-12-16(22(13-28)5-9-30-10-6-22)20-27-26-19(31-20)14-3-7-25-8-4-14/h1-4,7-8,11,16H,5-6,9-10,12-13H2
InChIKeyNHQNRPFTVDYHQN-UHFFFAOYSA-N
XLogP3.45
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[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 (3,4-difluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912513) is (3,4-difluorophenyl)-[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 (3,4-difluorophenyl)-[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 (3,4-difluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is NHQNRPFTVDYHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c23-17-2-1-15(11-18(17)24)21(29)28-12-16(22(13-28)5-9-30-10-6-22)20-27-26-19(31-20)14-3-7-25-8-4-14/h1-4,7-8,11,16H,5-6,9-10,12-13H2.
What are the key properties of (3,4-difluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(3,4-difluorophenyl)-[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 426.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[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 91912513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).