5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one

C11H8N4O2 — CID 3074718

IUPAC5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one
SMILESNc1cc(=O)nc2oc(-c3ccccc3)nn12
InChIInChI=1S/C11H8N4O2/c12-8-6-9(16)13-11-15(8)14-10(17-11)7-4-2-1-3-5-7/h1-6H,12H2
InChIKeyQKKOCZJBCAEXBK-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.93
Rot. Bonds1

About 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one

5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one (PubChem CID 3074718) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one
PubChem CID3074718
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one
SMILESNc1cc(=O)nc2oc(-c3ccccc3)nn12
InChIInChI=1S/C11H8N4O2/c12-8-6-9(16)13-11-15(8)14-10(17-11)7-4-2-1-3-5-7/h1-6H,12H2
InChIKeyQKKOCZJBCAEXBK-UHFFFAOYSA-N
XLogP0.93
TPSA86.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one (CID 3074718) is 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one is Nc1cc(=O)nc2oc(-c3ccccc3)nn12.
What is the InChIKey of 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is QKKOCZJBCAEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-8-6-9(16)13-11-15(8)14-10(17-11)7-4-2-1-3-5-7/h1-6H,12H2.
What are the key properties of 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one?
5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 228.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 3074718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).