[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 118739273

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc(C2CCC3(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
InChIKeyKENRWIHEZAEXHQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.64
Rot. Bonds2

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

[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 118739273) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is [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[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID118739273
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc(C2CCC3(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
InChIKeyKENRWIHEZAEXHQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [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 [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) is [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 [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 [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(C2CCC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)n1.
What is the InChIKey of [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-UHFFFAOYSA-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.
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
[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 [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 118739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).