2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H25F3N4O3 — CID 97198032

IUPAC2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nc(C(F)(F)F)no3)CC2)CN1C[C@H]1CCCO1
InChIInChI=1S/C18H25F3N4O3/c19-18(20,21)16-22-14(28-23-16)11-24-7-5-17(6-8-24)4-3-15(26)25(12-17)10-13-2-1-9-27-13/h13H,1-12H2/t13-/m1/s1
InChIKeyCMZUQUGSFYQSHE-CYBMUJFWSA-N
MW402.42 g/mol
LogP2.47
Rot. Bonds4

About 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97198032) has the molecular formula C18H25F3N4O3 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97198032
Molecular FormulaC18H25F3N4O3
Molecular Weight402.42 g/mol
Exact Mass402.19
IUPAC Name2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nc(C(F)(F)F)no3)CC2)CN1C[C@H]1CCCO1
InChIInChI=1S/C18H25F3N4O3/c19-18(20,21)16-22-14(28-23-16)11-24-7-5-17(6-8-24)4-3-15(26)25(12-17)10-13-2-1-9-27-13/h13H,1-12H2/t13-/m1/s1
InChIKeyCMZUQUGSFYQSHE-CYBMUJFWSA-N
XLogP2.47
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97125710
9-[(2-chloro-4-fluorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97131912
(6S)-2-(2-methoxyethyl)-8-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97116269
9-(3-methylsulfanylpropyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72918622
9-(5-fluoropyrimidin-2-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97114635
9-[(3-fluoro-4-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97132816
2-[[(2R)-oxolan-2-yl]methyl]-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97127207
9-[2-(4-methoxyphenoxy)ethyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97141984
9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97139206
9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72885637
9-(3-methylbut-2-enoyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72891706
2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136898

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97198032) is 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3nc(C(F)(F)F)no3)CC2)CN1C[C@H]1CCCO1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CMZUQUGSFYQSHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25F3N4O3/c19-18(20,21)16-22-14(28-23-16)11-24-7-5-17(6-8-24)4-3-15(26)25(12-17)10-13-2-1-9-27-13/h13H,1-12H2/t13-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 402.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97198032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).