[(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H20F3N3O3 — CID 97045302

IUPAC[(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1noc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CC23CCOCC3)n1
InChIInChI=1S/C19H20F3N3O3/c1-12-23-16(28-24-12)15-10-25(11-18(15)5-7-27-8-6-18)17(26)13-3-2-4-14(9-13)19(20,21)22/h2-4,9,15H,5-8,10-11H2,1H3/t15-/m1/s1
InChIKeyNDIXCKTWGXNYQT-OAHLLOKOSA-N
MW395.38 g/mol
LogP3.43
Rot. Bonds2

About [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone

[(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 97045302) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID97045302
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name[(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1noc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CC23CCOCC3)n1
InChIInChI=1S/C19H20F3N3O3/c1-12-23-16(28-24-12)15-10-25(11-18(15)5-7-27-8-6-18)17(26)13-3-2-4-14(9-13)19(20,21)22/h2-4,9,15H,5-8,10-11H2,1H3/t15-/m1/s1
InChIKeyNDIXCKTWGXNYQT-OAHLLOKOSA-N
XLogP3.43
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one
CID 95990967
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
CID 71836225
2-ethyl-1-[(4S)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 97045306
(3-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912512
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121092973
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4640264
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 172880469
(3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912387
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4000498
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 125021815
(3-chlorophenyl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095643
4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
CID 86771711

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 97045302) is [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1noc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CC23CCOCC3)n1.
What is the InChIKey of [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is NDIXCKTWGXNYQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-12-23-16(28-24-12)15-10-25(11-18(15)5-7-27-8-6-18)17(26)13-3-2-4-14(9-13)19(20,21)22/h2-4,9,15H,5-8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
[(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 395.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 97045302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).