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

C7H7N3O — CID 144656032

IUPAC3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCCc1noc2cncnc12
InChIInChI=1S/C7H7N3O/c1-2-5-7-6(11-10-5)3-8-4-9-7/h3-4H,2H2,1H3
InChIKeyPIUATAXQUAYWEJ-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.18
Rot. Bonds1

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

3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine (PubChem CID 144656032) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine
PubChem CID144656032
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCCc1noc2cncnc12
InChIInChI=1S/C7H7N3O/c1-2-5-7-6(11-10-5)3-8-4-9-7/h3-4H,2H2,1H3
InChIKeyPIUATAXQUAYWEJ-UHFFFAOYSA-N
XLogP1.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine?
The IUPAC name of 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine (CID 144656032) is 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine is CCc1noc2cncnc12.
What is the InChIKey of 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine?
The InChIKey is PIUATAXQUAYWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-5-7-6(11-10-5)3-8-4-9-7/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine?
3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine has a molecular weight of 149.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-[1,2]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 144656032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).