8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one

C15H19N5O2 — CID 70776074

IUPAC8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCc1nc2c(N3CCC4(CC3)CNC(=O)C4)ncnc2o1
InChIInChI=1S/C15H19N5O2/c1-2-11-19-12-13(17-9-18-14(12)22-11)20-5-3-15(4-6-20)7-10(21)16-8-15/h9H,2-8H2,1H3,(H,16,21)
InChIKeyAGSPDTSTRTYAAX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.29
Rot. Bonds2

About 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70776074) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70776074
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCc1nc2c(N3CCC4(CC3)CNC(=O)C4)ncnc2o1
InChIInChI=1S/C15H19N5O2/c1-2-11-19-12-13(17-9-18-14(12)22-11)20-5-3-15(4-6-20)7-10(21)16-8-15/h9H,2-8H2,1H3,(H,16,21)
InChIKeyAGSPDTSTRTYAAX-UHFFFAOYSA-N
XLogP1.29
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 70776074) is 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one is CCc1nc2c(N3CCC4(CC3)CNC(=O)C4)ncnc2o1.
What is the InChIKey of 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AGSPDTSTRTYAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-2-11-19-12-13(17-9-18-14(12)22-11)20-5-3-15(4-6-20)7-10(21)16-8-15/h9H,2-8H2,1H3,(H,16,21).
What are the key properties of 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 301.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70776074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).