3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

C26H24N4O3 — CID 123897635

IUPAC3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc2cc(C(C)Nc3nccc(N4C(=O)OCC4c4ccccc4)n3)ccc2c1
InChIInChI=1S/C26H24N4O3/c1-17(19-8-9-21-15-22(32-2)11-10-20(21)14-19)28-25-27-13-12-24(29-25)30-23(16-33-26(30)31)18-6-4-3-5-7-18/h3-15,17,23H,16H2,1-2H3,(H,27,28,29)
InChIKeyCLWGPLNRHVFNBY-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.51
Rot. Bonds6

About 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 123897635) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID123897635
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc2cc(C(C)Nc3nccc(N4C(=O)OCC4c4ccccc4)n3)ccc2c1
InChIInChI=1S/C26H24N4O3/c1-17(19-8-9-21-15-22(32-2)11-10-20(21)14-19)28-25-27-13-12-24(29-25)30-23(16-33-26(30)31)18-6-4-3-5-7-18/h3-15,17,23H,16H2,1-2H3,(H,27,28,29)
InChIKeyCLWGPLNRHVFNBY-UHFFFAOYSA-N
XLogP5.51
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 123897635) is 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc2cc(C(C)Nc3nccc(N4C(=O)OCC4c4ccccc4)n3)ccc2c1.
What is the InChIKey of 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CLWGPLNRHVFNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17(19-8-9-21-15-22(32-2)11-10-20(21)14-19)28-25-27-13-12-24(29-25)30-23(16-33-26(30)31)18-6-4-3-5-7-18/h3-15,17,23H,16H2,1-2H3,(H,27,28,29).
What are the key properties of 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 440.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123897635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).