8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H23FN4O4S — CID 72945573

IUPAC8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)CSc3ccc(-c4nc(-c5ccc(F)cc5)no4)cc3)CC2)OC1=O
InChIInChI=1S/C24H23FN4O4S/c1-28-15-24(32-23(28)31)10-12-29(13-11-24)20(30)14-34-19-8-4-17(5-9-19)22-26-21(27-33-22)16-2-6-18(25)7-3-16/h2-9H,10-15H2,1H3
InChIKeyFXIAVPBLNAFZOH-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.08
Rot. Bonds5

About 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72945573) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72945573
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC Name8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)CSc3ccc(-c4nc(-c5ccc(F)cc5)no4)cc3)CC2)OC1=O
InChIInChI=1S/C24H23FN4O4S/c1-28-15-24(32-23(28)31)10-12-29(13-11-24)20(30)14-34-19-8-4-17(5-9-19)22-26-21(27-33-22)16-2-6-18(25)7-3-16/h2-9H,10-15H2,1H3
InChIKeyFXIAVPBLNAFZOH-UHFFFAOYSA-N
XLogP4.08
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72945573) is 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(C(=O)CSc3ccc(-c4nc(-c5ccc(F)cc5)no4)cc3)CC2)OC1=O.
What is the InChIKey of 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FXIAVPBLNAFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c1-28-15-24(32-23(28)31)10-12-29(13-11-24)20(30)14-34-19-8-4-17(5-9-19)22-26-21(27-33-22)16-2-6-18(25)7-3-16/h2-9H,10-15H2,1H3.
What are the key properties of 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 482.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72945573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).