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

C8H7N3O2 — CID 18172101

IUPAC4-(pyrimidin-2-ylmethoxy)-1,3-oxazole
SMILESc1cnc(COc2cocn2)nc1
InChIInChI=1S/C8H7N3O2/c1-2-9-7(10-3-1)4-13-8-5-12-6-11-8/h1-3,5-6H,4H2
InChIKeyMUIYSVWGVXNHEB-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.04
Rot. Bonds3

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

4-(pyrimidin-2-ylmethoxy)-1,3-oxazole (PubChem CID 18172101) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole.

Molecular Properties

Compound Name4-(pyrimidin-2-ylmethoxy)-1,3-oxazole
PubChem CID18172101
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-(pyrimidin-2-ylmethoxy)-1,3-oxazole
SMILESc1cnc(COc2cocn2)nc1
InChIInChI=1S/C8H7N3O2/c1-2-9-7(10-3-1)4-13-8-5-12-6-11-8/h1-3,5-6H,4H2
InChIKeyMUIYSVWGVXNHEB-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

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole?
The IUPAC name of 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole (CID 18172101) is 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole.
What is the SMILES notation for 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole?
The canonical SMILES for 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole is c1cnc(COc2cocn2)nc1.
What is the InChIKey of 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole?
The InChIKey is MUIYSVWGVXNHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-2-9-7(10-3-1)4-13-8-5-12-6-11-8/h1-3,5-6H,4H2.
What are the key properties of 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole?
4-(pyrimidin-2-ylmethoxy)-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 4-(pyrimidin-2-ylmethoxy)-1,3-oxazole is sourced from PubChem (CID 18172101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).