3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one

C12H15ClN4O2 — CID 22309536

IUPAC3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C12H15ClN4O2/c13-10-7-11(15-8-14-10)16-3-1-9(2-4-16)17-5-6-19-12(17)18/h7-9H,1-6H2
InChIKeyNXUWXSGPMXYBOT-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.55
Rot. Bonds2

About 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 22309536) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID22309536
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C12H15ClN4O2/c13-10-7-11(15-8-14-10)16-3-1-9(2-4-16)17-5-6-19-12(17)18/h7-9H,1-6H2
InChIKeyNXUWXSGPMXYBOT-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 22309536) is 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCN(c2cc(Cl)ncn2)CC1.
What is the InChIKey of 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NXUWXSGPMXYBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-10-7-11(15-8-14-10)16-3-1-9(2-4-16)17-5-6-19-12(17)18/h7-9H,1-6H2.
What are the key properties of 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 282.73 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22309536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).