9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C15H19N5O3 — CID 72873248

IUPAC9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1nc(N2CCCC3(CC2)CNC(=O)O3)c2nc(C)oc2n1
InChIInChI=1S/C15H19N5O3/c1-9-17-12(11-13(18-9)22-10(2)19-11)20-6-3-4-15(5-7-20)8-16-14(21)23-15/h3-8H2,1-2H3,(H,16,21)
InChIKeyOMZCVKLITMNUNZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.70
Rot. Bonds1

About 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 72873248) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID72873248
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1nc(N2CCCC3(CC2)CNC(=O)O3)c2nc(C)oc2n1
InChIInChI=1S/C15H19N5O3/c1-9-17-12(11-13(18-9)22-10(2)19-11)20-6-3-4-15(5-7-20)8-16-14(21)23-15/h3-8H2,1-2H3,(H,16,21)
InChIKeyOMZCVKLITMNUNZ-UHFFFAOYSA-N
XLogP1.70
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 72873248) is 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1nc(N2CCCC3(CC2)CNC(=O)O3)c2nc(C)oc2n1.
What is the InChIKey of 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is OMZCVKLITMNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-17-12(11-13(18-9)22-10(2)19-11)20-6-3-4-15(5-7-20)8-16-14(21)23-15/h3-8H2,1-2H3,(H,16,21).
What are the key properties of 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 317.35 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 72873248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).