(5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C15H17N5O3 — CID 97136417

IUPAC(5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C15H17N5O3/c21-12-2-3-15(4-7-22-10-15)9-20(12)8-11-18-14(19-23-11)13-16-5-1-6-17-13/h1,5-6H,2-4,7-10H2/t15-/m0/s1
InChIKeyBUMQXPHZPGBBIV-HNNXBMFYSA-N
MW315.33 g/mol
LogP1.06
Rot. Bonds3

About (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

(5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97136417) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97136417
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name(5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C15H17N5O3/c21-12-2-3-15(4-7-22-10-15)9-20(12)8-11-18-14(19-23-11)13-16-5-1-6-17-13/h1,5-6H,2-4,7-10H2/t15-/m0/s1
InChIKeyBUMQXPHZPGBBIV-HNNXBMFYSA-N
XLogP1.06
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-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

[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 118739267
N-{[3-(2-pyrimidinyl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide dihydrochloride
CID 56887749
(3-((3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 90641662
4-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 38404192
2-(4-{[3-(Tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)pyrimidine
CID 72845881
7-[2-(4-Pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72867951
7-[(3-Pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72897220
N-{[3-(2-pyrimidinyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72914125
2-Methyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
CID 75371223
2-(4-{2-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl}piperazin-1-yl)pyrimidine
CID 90651025
(3S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95711571
(3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95711572

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97136417) is (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CC[C@]2(CCOC2)CN1Cc1nc(-c2ncccn2)no1.
What is the InChIKey of (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is BUMQXPHZPGBBIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-12-2-3-15(4-7-22-10-15)9-20(12)8-11-18-14(19-23-11)13-16-5-1-6-17-13/h1,5-6H,2-4,7-10H2/t15-/m0/s1.
What are the key properties of (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
(5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 315.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97136417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).