[1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C17H22N6O2 — CID 72931053

IUPAC[1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1nc(N2CCC(C(O)c3nccn3C)CC2)c2nc(C)oc2n1
InChIInChI=1S/C17H22N6O2/c1-10-19-15(13-17(20-10)25-11(2)21-13)23-7-4-12(5-8-23)14(24)16-18-6-9-22(16)3/h6,9,12,14,24H,4-5,7-8H2,1-3H3
InChIKeyKIZAXSWSKKITFX-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.92
Rot. Bonds3

About [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 72931053) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID72931053
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1nc(N2CCC(C(O)c3nccn3C)CC2)c2nc(C)oc2n1
InChIInChI=1S/C17H22N6O2/c1-10-19-15(13-17(20-10)25-11(2)21-13)23-7-4-12(5-8-23)14(24)16-18-6-9-22(16)3/h6,9,12,14,24H,4-5,7-8H2,1-3H3
InChIKeyKIZAXSWSKKITFX-UHFFFAOYSA-N
XLogP1.92
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 72931053) is [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cc1nc(N2CCC(C(O)c3nccn3C)CC2)c2nc(C)oc2n1.
What is the InChIKey of [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is KIZAXSWSKKITFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10-19-15(13-17(20-10)25-11(2)21-13)23-7-4-12(5-8-23)14(24)16-18-6-9-22(16)3/h6,9,12,14,24H,4-5,7-8H2,1-3H3.
What are the key properties of [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 342.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 72931053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).