3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine

C12H9N3O2 — CID 3790182

IUPAC3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(Oc3ccccc3)c12
InChIInChI=1S/C12H9N3O2/c1-8-10-11(13-7-14-12(10)17-15-8)16-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHRORRWAWOALHJJ-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.72
Rot. Bonds2

About 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine

3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 3790182) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID3790182
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(Oc3ccccc3)c12
InChIInChI=1S/C12H9N3O2/c1-8-10-11(13-7-14-12(10)17-15-8)16-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHRORRWAWOALHJJ-UHFFFAOYSA-N
XLogP2.72
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine (CID 3790182) is 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(Oc3ccccc3)c12.
What is the InChIKey of 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is HRORRWAWOALHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-8-10-11(13-7-14-12(10)17-15-8)16-9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine?
3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 227.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3790182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).