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

C16H19N5O3 — CID 97422212

IUPAC[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCc1noc([C@H]2CCC3(CCN(C(=O)c4ncccn4)CC3)O2)n1
InChIInChI=1S/C16H19N5O3/c1-11-19-14(24-20-11)12-3-4-16(23-12)5-9-21(10-6-16)15(22)13-17-7-2-8-18-13/h2,7-8,12H,3-6,9-10H2,1H3/t12-/m1/s1
InChIKeyQQVQRCRLQPUCBS-GFCCVEGCSA-N
MW329.36 g/mol
LogP1.69
Rot. Bonds2

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

[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (PubChem CID 97422212) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
PubChem CID97422212
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCc1noc([C@H]2CCC3(CCN(C(=O)c4ncccn4)CC3)O2)n1
InChIInChI=1S/C16H19N5O3/c1-11-19-14(24-20-11)12-3-4-16(23-12)5-9-21(10-6-16)15(22)13-17-7-2-8-18-13/h2,7-8,12H,3-6,9-10H2,1H3/t12-/m1/s1
InChIKeyQQVQRCRLQPUCBS-GFCCVEGCSA-N
XLogP1.69
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

Cyclopentyl-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
CID 46956753
2-Cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956754
[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 118739259
[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 118739267
[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 118739271
5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 124753376
5-[(2S)-5,5-dimethyloxolan-2-yl]-3-(4-methylpyrimidin-2-yl)-1,2,4-oxadiazole
CID 164642548
(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 155850142
7-[(3-Pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72897220
[5-(3-Pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 80006944
2-(4-{[5-(Tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)pyrimidine
CID 91834693
2-[(1-{[5-(Tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-4-yl)oxy]pyrimidine
CID 91836994

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (CID 97422212) is [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is Cc1noc([C@H]2CCC3(CCN(C(=O)c4ncccn4)CC3)O2)n1.
What is the InChIKey of [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The InChIKey is QQVQRCRLQPUCBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-19-14(24-20-11)12-3-4-16(23-12)5-9-21(10-6-16)15(22)13-17-7-2-8-18-13/h2,7-8,12H,3-6,9-10H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone has a molecular weight of 329.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 97422212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).