4-methoxy-5-pyrimidin-2-yl-1,2-oxazole

C8H7N3O2 — CID 90694126

IUPAC4-methoxy-5-pyrimidin-2-yl-1,2-oxazole
SMILESCOc1cnoc1-c1ncccn1
InChIInChI=1S/C8H7N3O2/c1-12-6-5-11-13-7(6)8-9-3-2-4-10-8/h2-5H,1H3
InChIKeyDYILDISCHQONGO-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.14
Rot. Bonds2

About 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole

4-methoxy-5-pyrimidin-2-yl-1,2-oxazole (PubChem CID 90694126) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-methoxy-5-pyrimidin-2-yl-1,2-oxazole
PubChem CID90694126
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-methoxy-5-pyrimidin-2-yl-1,2-oxazole
SMILESCOc1cnoc1-c1ncccn1
InChIInChI=1S/C8H7N3O2/c1-12-6-5-11-13-7(6)8-9-3-2-4-10-8/h2-5H,1H3
InChIKeyDYILDISCHQONGO-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 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole?
The IUPAC name of 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole (CID 90694126) is 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole.
What is the SMILES notation for 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole?
The canonical SMILES for 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole is COc1cnoc1-c1ncccn1.
What is the InChIKey of 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole?
The InChIKey is DYILDISCHQONGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-12-6-5-11-13-7(6)8-9-3-2-4-10-8/h2-5H,1H3.
What are the key properties of 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole?
4-methoxy-5-pyrimidin-2-yl-1,2-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 4-methoxy-5-pyrimidin-2-yl-1,2-oxazole is sourced from PubChem (CID 90694126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).