4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

C12H8FN3O2 — CID 5170391

IUPAC4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(Oc3ccc(F)cc3)c12
InChIInChI=1S/C12H8FN3O2/c1-7-10-11(14-6-15-12(10)18-16-7)17-9-4-2-8(13)3-5-9/h2-6H,1H3
InChIKeyUUWJGBNSNGRANM-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.86
Rot. Bonds2

About 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 5170391) has the molecular formula C12H8FN3O2 and a molecular weight of 245.21 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID5170391
Molecular FormulaC12H8FN3O2
Molecular Weight245.21 g/mol
Exact Mass245.06
IUPAC Name4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(Oc3ccc(F)cc3)c12
InChIInChI=1S/C12H8FN3O2/c1-7-10-11(14-6-15-12(10)18-16-7)17-9-4-2-8(13)3-5-9/h2-6H,1H3
InChIKeyUUWJGBNSNGRANM-UHFFFAOYSA-N
XLogP2.86
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 5170391) is 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(Oc3ccc(F)cc3)c12.
What is the InChIKey of 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is UUWJGBNSNGRANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2/c1-7-10-11(14-6-15-12(10)18-16-7)17-9-4-2-8(13)3-5-9/h2-6H,1H3.
What are the key properties of 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 245.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 5170391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).