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

C19H27N5O2 — CID 72877688

IUPAC8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCc1nc2c(N3CCC4(CC3)CC(=O)N(CC(C)C)C4)ncnc2o1
InChIInChI=1S/C19H27N5O2/c1-4-14-22-16-17(20-12-21-18(16)26-14)23-7-5-19(6-8-23)9-15(25)24(11-19)10-13(2)3/h12-13H,4-11H2,1-3H3
InChIKeyQBCQZFMIZNADMH-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.66
Rot. Bonds4

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

8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72877688) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72877688
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCc1nc2c(N3CCC4(CC3)CC(=O)N(CC(C)C)C4)ncnc2o1
InChIInChI=1S/C19H27N5O2/c1-4-14-22-16-17(20-12-21-18(16)26-14)23-7-5-19(6-8-23)9-15(25)24(11-19)10-13(2)3/h12-13H,4-11H2,1-3H3
InChIKeyQBCQZFMIZNADMH-UHFFFAOYSA-N
XLogP2.66
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
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-(2-methylpropyl)-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-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72877688) is 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is CCc1nc2c(N3CCC4(CC3)CC(=O)N(CC(C)C)C4)ncnc2o1.
What is the InChIKey of 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QBCQZFMIZNADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-14-22-16-17(20-12-21-18(16)26-14)23-7-5-19(6-8-23)9-15(25)24(11-19)10-13(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 357.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 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-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72877688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).