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1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Formula: C19H23N3O4

SMILES: CC1=CC=CC=C1C1=NOC(CCC(=O)N2CCC3(CC2)OCCO3)=N1

IUPAC: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

InChI: InChI=1S/C19H23N3O4/c1-14-4-2-3-5-15(14)18-20-16(26-21-18)6-7-17(23)22-10-8-19(9-11-22)24-12-13-25-19/h2-5H,6-13H2,1H3

Composition: C (63.85%), H (6.49%), N (11.76%), O (17.91%)

Molar Mass: 357.41

Atom Count: 49

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 357.168856233
Formal Charge 0
FSP3 0.53
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey JIGYYBTXXJZVTK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.97
Topological Polar Surface Area 77.69
Polarizability 37.06
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H23N3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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