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

C17H23N5O2 — CID 72845185

IUPAC2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCc1nc2c(N3CCC4(CC3)CC(=O)N(CC)C4)ncnc2o1
InChIInChI=1S/C17H23N5O2/c1-3-12-20-14-15(18-11-19-16(14)24-12)22-7-5-17(6-8-22)9-13(23)21(4-2)10-17/h11H,3-10H2,1-2H3
InChIKeyWGQUSZDMADMUNV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.02
Rot. Bonds3

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

2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72845185) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72845185
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCc1nc2c(N3CCC4(CC3)CC(=O)N(CC)C4)ncnc2o1
InChIInChI=1S/C17H23N5O2/c1-3-12-20-14-15(18-11-19-16(14)24-12)22-7-5-17(6-8-22)9-13(23)21(4-2)10-17/h11H,3-10H2,1-2H3
InChIKeyWGQUSZDMADMUNV-UHFFFAOYSA-N
XLogP2.02
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 72845185) is 2-ethyl-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 2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one is CCc1nc2c(N3CCC4(CC3)CC(=O)N(CC)C4)ncnc2o1.
What is the InChIKey of 2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WGQUSZDMADMUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-12-20-14-15(18-11-19-16(14)24-12)22-7-5-17(6-8-22)9-13(23)21(4-2)10-17/h11H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-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 329.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-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 72845185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).