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

C16H21N5O3 — CID 97422203

IUPAC[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc([C@@H]2CCC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)n1
InChIInChI=1S/C16H21N5O3/c1-11-17-14(24-19-11)13-3-5-16(23-13)6-9-21(10-7-16)15(22)12-4-8-20(2)18-12/h4,8,13H,3,5-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyKENRWIHEZAEXHQ-ZDUSSCGKSA-N
MW331.38 g/mol
LogP1.64
Rot. Bonds2

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

[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 97422203) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID97422203
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc([C@@H]2CCC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)n1
InChIInChI=1S/C16H21N5O3/c1-11-17-14(24-19-11)13-3-5-16(23-13)6-9-21(10-7-16)15(22)12-4-8-20(2)18-12/h4,8,13H,3,5-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyKENRWIHEZAEXHQ-ZDUSSCGKSA-N
XLogP1.64
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 118739271
[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 118739273
[3-[5-(Ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91918496
(4-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)(1-methyl-1H-pyrazol-5-yl)methanone
CID 87053172
(3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)(1-methyl-1H-pyrazol-5-yl)methanone
CID 87053263
{3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}(1-methyl-1H-pyrazol-5-yl)methanone
CID 91907854
(1-ethyl-1H-pyrazol-3-yl){3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}methanone
CID 91907855
{3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}(1-ethyl-1H-pyrazol-5-yl)methanone
CID 91907883
1-(1-Ethyl-1H-pyrazole-5-carbonyl)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-YL]piperidine
CID 91918459
(1-Ethylpyrazol-3-yl)-[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 124043935
4-[(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)methyl]-9-(1-methyl-1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124045772
N-[[(2S,3S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 137874818

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone (CID 97422203) is [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone is Cc1noc([C@@H]2CCC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)n1.
What is the InChIKey of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is KENRWIHEZAEXHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-17-14(24-19-11)13-3-5-16(23-13)6-9-21(10-7-16)15(22)12-4-8-20(2)18-12/h4,8,13H,3,5-7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 331.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97422203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).