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

C16H19N5O3 — CID 118739271

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
SMILESCc1noc(C2CCC3(CCN(C(=O)c4ccncn4)CC3)O2)n1
InChIInChI=1S/C16H19N5O3/c1-11-19-14(24-20-11)13-2-4-16(23-13)5-8-21(9-6-16)15(22)12-3-7-17-10-18-12/h3,7,10,13H,2,4-6,8-9H2,1H3
InChIKeyKIWDKEWQFNDFQH-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.69
Rot. Bonds2

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

[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone (PubChem CID 118739271) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is [2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
PubChem CID118739271
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
SMILESCc1noc(C2CCC3(CCN(C(=O)c4ccncn4)CC3)O2)n1
InChIInChI=1S/C16H19N5O3/c1-11-19-14(24-20-11)13-2-4-16(23-13)5-8-21(9-6-16)15(22)12-3-7-17-10-18-12/h3,7,10,13H,2,4-6,8-9H2,1H3
InChIKeyKIWDKEWQFNDFQH-UHFFFAOYSA-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

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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]-pyrimidin-4-ylmethanone?
The IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone (CID 118739271) is [2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone is Cc1noc(C2CCC3(CCN(C(=O)c4ccncn4)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]-pyrimidin-4-ylmethanone?
The InChIKey is KIWDKEWQFNDFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-19-14(24-20-11)13-2-4-16(23-13)5-8-21(9-6-16)15(22)12-3-7-17-10-18-12/h3,7,10,13H,2,4-6,8-9H2,1H3.
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-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 [2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 118739271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).