2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C19H30N4O3 — CID 97123980

IUPAC2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(Cc3noc([C@H]4CCCO4)n3)CC2)CC1=O
InChIInChI=1S/C19H30N4O3/c1-14(2)11-23-13-19(10-17(23)24)5-7-22(8-6-19)12-16-20-18(26-21-16)15-4-3-9-25-15/h14-15H,3-13H2,1-2H3/t15-/m1/s1
InChIKeyNXJSOTALUCOJQA-OAHLLOKOSA-N
MW362.47 g/mol
LogP2.39
Rot. Bonds5

About 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97123980) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97123980
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(Cc3noc([C@H]4CCCO4)n3)CC2)CC1=O
InChIInChI=1S/C19H30N4O3/c1-14(2)11-23-13-19(10-17(23)24)5-7-22(8-6-19)12-16-20-18(26-21-16)15-4-3-9-25-15/h14-15H,3-13H2,1-2H3/t15-/m1/s1
InChIKeyNXJSOTALUCOJQA-OAHLLOKOSA-N
XLogP2.39
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

2-(2-methylpropyl)-8-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72846570
4-[1-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]morpholine
CID 91837402
5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 124753376
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 91842118
5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
CID 130611413
4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 72930130
2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97196956
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 124754936
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131658459
4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
CID 97188640
5-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188869

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97123980) is 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(Cc3noc([C@H]4CCCO4)n3)CC2)CC1=O.
What is the InChIKey of 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NXJSOTALUCOJQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14(2)11-23-13-19(10-17(23)24)5-7-22(8-6-19)12-16-20-18(26-21-16)15-4-3-9-25-15/h14-15H,3-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 362.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97123980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).