3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine

C8H9N3O — CID 88981466

IUPAC3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCC(C)c1noc2cncnc12
InChIInChI=1S/C8H9N3O/c1-5(2)7-8-6(12-11-7)3-9-4-10-8/h3-5H,1-2H3
InChIKeyIGBGIZZHCFVNEP-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.74
Rot. Bonds1

About 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine

3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine (PubChem CID 88981466) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine
PubChem CID88981466
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCC(C)c1noc2cncnc12
InChIInChI=1S/C8H9N3O/c1-5(2)7-8-6(12-11-7)3-9-4-10-8/h3-5H,1-2H3
InChIKeyIGBGIZZHCFVNEP-UHFFFAOYSA-N
XLogP1.74
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The IUPAC name of 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine (CID 88981466) is 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine is CC(C)c1noc2cncnc12.
What is the InChIKey of 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The InChIKey is IGBGIZZHCFVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5(2)7-8-6(12-11-7)3-9-4-10-8/h3-5H,1-2H3.
What are the key properties of 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine?
3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine has a molecular weight of 163.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 88981466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).