2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole

C8H4Cl3N3O — CID 87337278

IUPAC2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole
SMILESClc1nc(Cc2ncco2)nc(Cl)c1Cl
InChIInChI=1S/C8H4Cl3N3O/c9-6-7(10)13-4(14-8(6)11)3-5-12-1-2-15-5/h1-2H,3H2
InChIKeyLUUWGZVHBVTADV-UHFFFAOYSA-N
MW264.50 g/mol
LogP3.02
Rot. Bonds2

About 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole

2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole (PubChem CID 87337278) has the molecular formula C8H4Cl3N3O and a molecular weight of 264.50 g/mol. Its IUPAC name is 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole
PubChem CID87337278
Molecular FormulaC8H4Cl3N3O
Molecular Weight264.50 g/mol
Exact Mass262.94
IUPAC Name2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole
SMILESClc1nc(Cc2ncco2)nc(Cl)c1Cl
InChIInChI=1S/C8H4Cl3N3O/c9-6-7(10)13-4(14-8(6)11)3-5-12-1-2-15-5/h1-2H,3H2
InChIKeyLUUWGZVHBVTADV-UHFFFAOYSA-N
XLogP3.02
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole (CID 87337278) is 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole is Clc1nc(Cc2ncco2)nc(Cl)c1Cl.
What is the InChIKey of 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole?
The InChIKey is LUUWGZVHBVTADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3N3O/c9-6-7(10)13-4(14-8(6)11)3-5-12-1-2-15-5/h1-2H,3H2.
What are the key properties of 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole?
2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole has a molecular weight of 264.50 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5,6-trichloropyrimidin-2-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 87337278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).