3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C11H9N3O2S — CID 33279473

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(Cn2cnc3ccsc3c2=O)no1
InChIInChI=1S/C11H9N3O2S/c1-7-4-8(13-16-7)5-14-6-12-9-2-3-17-10(9)11(14)15/h2-4,6H,5H2,1H3
InChIKeyQSAZUJHUOCYECB-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.80
Rot. Bonds2

About 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 33279473) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID33279473
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(Cn2cnc3ccsc3c2=O)no1
InChIInChI=1S/C11H9N3O2S/c1-7-4-8(13-16-7)5-14-6-12-9-2-3-17-10(9)11(14)15/h2-4,6H,5H2,1H3
InChIKeyQSAZUJHUOCYECB-UHFFFAOYSA-N
XLogP1.80
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 33279473) is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1cc(Cn2cnc3ccsc3c2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is QSAZUJHUOCYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-7-4-8(13-16-7)5-14-6-12-9-2-3-17-10(9)11(14)15/h2-4,6H,5H2,1H3.
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 247.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33279473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).