9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one

C19H21F3N4O2 — CID 163319449

IUPAC9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccc2)CCCC12CCCN2Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)16-23-15(28-24-16)13-26-11-5-9-18(26)8-4-10-25(17(18)27)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKeyYJDVWVMTQUYPQN-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.25
Rot. Bonds4

About 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one

9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163319449) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163319449
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccc2)CCCC12CCCN2Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)16-23-15(28-24-16)13-26-11-5-9-18(26)8-4-10-25(17(18)27)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKeyYJDVWVMTQUYPQN-UHFFFAOYSA-N
XLogP3.25
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317627
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
(5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97140917
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
CID 162626493
1-[(4-methoxyphenyl)methyl]-4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 135102768
1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634689
3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
CID 67360329
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 163319449) is 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one is O=C1N(Cc2ccccc2)CCCC12CCCN2Cc1nc(C(F)(F)F)no1.
What is the InChIKey of 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is YJDVWVMTQUYPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)16-23-15(28-24-16)13-26-11-5-9-18(26)8-4-10-25(17(18)27)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2.
What are the key properties of 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 394.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163319449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).