5-(2-methoxypyrimidin-4-yl)-1,3-oxazole

C8H7N3O2 — CID 59830303

IUPAC5-(2-methoxypyrimidin-4-yl)-1,3-oxazole
SMILESCOc1nccc(-c2cnco2)n1
InChIInChI=1S/C8H7N3O2/c1-12-8-10-3-2-6(11-8)7-4-9-5-13-7/h2-5H,1H3
InChIKeyVXIJPHFSEQIEKF-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.14
Rot. Bonds2

About 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole

5-(2-methoxypyrimidin-4-yl)-1,3-oxazole (PubChem CID 59830303) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-methoxypyrimidin-4-yl)-1,3-oxazole
PubChem CID59830303
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-(2-methoxypyrimidin-4-yl)-1,3-oxazole
SMILESCOc1nccc(-c2cnco2)n1
InChIInChI=1S/C8H7N3O2/c1-12-8-10-3-2-6(11-8)7-4-9-5-13-7/h2-5H,1H3
InChIKeyVXIJPHFSEQIEKF-UHFFFAOYSA-N
XLogP1.14
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole?
The IUPAC name of 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole (CID 59830303) is 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole?
The canonical SMILES for 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole is COc1nccc(-c2cnco2)n1.
What is the InChIKey of 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole?
The InChIKey is VXIJPHFSEQIEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-12-8-10-3-2-6(11-8)7-4-9-5-13-7/h2-5H,1H3.
What are the key properties of 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole?
5-(2-methoxypyrimidin-4-yl)-1,3-oxazole has a molecular weight of 177.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypyrimidin-4-yl)-1,3-oxazole is sourced from PubChem (CID 59830303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).