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

C23H23FN4O3 — CID 91912514

IUPAC2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C23H23FN4O3/c24-18-3-1-2-16(12-18)13-20(29)28-14-19(23(15-28)6-10-30-11-7-23)22-27-26-21(31-22)17-4-8-25-9-5-17/h1-5,8-9,12,19H,6-7,10-11,13-15H2
InChIKeyVLVSLJKQXGCQFY-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.24
Rot. Bonds4

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

2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91912514) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID91912514
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C23H23FN4O3/c24-18-3-1-2-16(12-18)13-20(29)28-14-19(23(15-28)6-10-30-11-7-23)22-27-26-21(31-22)17-4-8-25-9-5-17/h1-5,8-9,12,19H,6-7,10-11,13-15H2
InChIKeyVLVSLJKQXGCQFY-UHFFFAOYSA-N
XLogP3.24
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 91912514) is 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is O=C(Cc1cccc(F)c1)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is VLVSLJKQXGCQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-18-3-1-2-16(12-18)13-20(29)28-14-19(23(15-28)6-10-30-11-7-23)22-27-26-21(31-22)17-4-8-25-9-5-17/h1-5,8-9,12,19H,6-7,10-11,13-15H2.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 422.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91912514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).