ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate

C15H18N4O4 — CID 90291473

IUPACethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C15H18N4O4/c1-2-21-13(20)12-10-22-15(18-12)19-8-4-11(5-9-19)23-14-16-6-3-7-17-14/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyVNIRRLOQANGOCT-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.69
Rot. Bonds5

About ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate

ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate (PubChem CID 90291473) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate
PubChem CID90291473
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Nameethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C15H18N4O4/c1-2-21-13(20)12-10-22-15(18-12)19-8-4-11(5-9-19)23-14-16-6-3-7-17-14/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyVNIRRLOQANGOCT-UHFFFAOYSA-N
XLogP1.69
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate (CID 90291473) is ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1.
What is the InChIKey of ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is VNIRRLOQANGOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-2-21-13(20)12-10-22-15(18-12)19-8-4-11(5-9-19)23-14-16-6-3-7-17-14/h3,6-7,10-11H,2,4-5,8-9H2,1H3.
What are the key properties of ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90291473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).