2-(pyrimidin-4-yloxymethyl)-1,3-oxazole

C8H7N3O2 — CID 54360283

IUPAC2-(pyrimidin-4-yloxymethyl)-1,3-oxazole
SMILESc1cc(OCc2ncco2)ncn1
InChIInChI=1S/C8H7N3O2/c1-2-9-6-11-7(1)13-5-8-10-3-4-12-8/h1-4,6H,5H2
InChIKeyVQNDJNFEPISBFM-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.04
Rot. Bonds3

About 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole

2-(pyrimidin-4-yloxymethyl)-1,3-oxazole (PubChem CID 54360283) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(pyrimidin-4-yloxymethyl)-1,3-oxazole
PubChem CID54360283
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-(pyrimidin-4-yloxymethyl)-1,3-oxazole
SMILESc1cc(OCc2ncco2)ncn1
InChIInChI=1S/C8H7N3O2/c1-2-9-6-11-7(1)13-5-8-10-3-4-12-8/h1-4,6H,5H2
InChIKeyVQNDJNFEPISBFM-UHFFFAOYSA-N
XLogP1.04
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole?
The IUPAC name of 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole (CID 54360283) is 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole?
The canonical SMILES for 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole is c1cc(OCc2ncco2)ncn1.
What is the InChIKey of 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole?
The InChIKey is VQNDJNFEPISBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-2-9-6-11-7(1)13-5-8-10-3-4-12-8/h1-4,6H,5H2.
What are the key properties of 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole?
2-(pyrimidin-4-yloxymethyl)-1,3-oxazole has a molecular weight of 177.16 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-4-yloxymethyl)-1,3-oxazole is sourced from PubChem (CID 54360283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).