(5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C13H15N5O3 — CID 97125452

IUPAC(5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1nc2c(N3CCC[C@@]4(CNC(=O)O4)C3)ncnc2o1
InChIInChI=1S/C13H15N5O3/c1-8-17-9-10(15-7-16-11(9)20-8)18-4-2-3-13(6-18)5-14-12(19)21-13/h7H,2-6H2,1H3,(H,14,19)/t13-/m1/s1
InChIKeyFBVLEIQYZMOVSN-CYBMUJFWSA-N
MW289.29 g/mol
LogP1.01
Rot. Bonds1

About (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 97125452) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID97125452
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name(5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1nc2c(N3CCC[C@@]4(CNC(=O)O4)C3)ncnc2o1
InChIInChI=1S/C13H15N5O3/c1-8-17-9-10(15-7-16-11(9)20-8)18-4-2-3-13(6-18)5-14-12(19)21-13/h7H,2-6H2,1H3,(H,14,19)/t13-/m1/s1
InChIKeyFBVLEIQYZMOVSN-CYBMUJFWSA-N
XLogP1.01
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 97125452) is (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1nc2c(N3CCC[C@@]4(CNC(=O)O4)C3)ncnc2o1.
What is the InChIKey of (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is FBVLEIQYZMOVSN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-17-9-10(15-7-16-11(9)20-8)18-4-2-3-13(6-18)5-14-12(19)21-13/h7H,2-6H2,1H3,(H,14,19)/t13-/m1/s1.
What are the key properties of (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 289.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97125452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).