6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C15H11N3O2 — CID 145057452

IUPAC6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESC#Cc1noc2nc(CC)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C15H11N3O2/c1-3-11-13-14(20-17-11)16-12(4-2)18(15(13)19)10-8-6-5-7-9-10/h1,5-9H,4H2,2H3
InChIKeyIANRCRFGYVYYLR-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.92
Rot. Bonds2

About 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 145057452) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID145057452
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESC#Cc1noc2nc(CC)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C15H11N3O2/c1-3-11-13-14(20-17-11)16-12(4-2)18(15(13)19)10-8-6-5-7-9-10/h1,5-9H,4H2,2H3
InChIKeyIANRCRFGYVYYLR-UHFFFAOYSA-N
XLogP1.92
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 145057621
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
2-ethyl-7-ethynyl-1-phenylbenzimidazole
CID 130236073
5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
CID 4860361
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824878
5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824894
5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 123948593
6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 118726922
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one
CID 144824441

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 145057452) is 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is C#Cc1noc2nc(CC)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IANRCRFGYVYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-3-11-13-14(20-17-11)16-12(4-2)18(15(13)19)10-8-6-5-7-9-10/h1,5-9H,4H2,2H3.
What are the key properties of 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 265.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 145057452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).