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

C17H13N3O2S — CID 39014426

IUPAC3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc(Cn3cnc4ccsc4c3=O)co2)cc1
InChIInChI=1S/C17H13N3O2S/c1-11-2-4-12(5-3-11)16-19-13(9-22-16)8-20-10-18-14-6-7-23-15(14)17(20)21/h2-7,9-10H,8H2,1H3
InChIKeyDXKLSLLQOOEPEW-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.47
Rot. Bonds3

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

3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 39014426) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID39014426
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc(Cn3cnc4ccsc4c3=O)co2)cc1
InChIInChI=1S/C17H13N3O2S/c1-11-2-4-12(5-3-11)16-19-13(9-22-16)8-20-10-18-14-6-7-23-15(14)17(20)21/h2-7,9-10H,8H2,1H3
InChIKeyDXKLSLLQOOEPEW-UHFFFAOYSA-N
XLogP3.47
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 39014426) is 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one is Cc1ccc(-c2nc(Cn3cnc4ccsc4c3=O)co2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is DXKLSLLQOOEPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-11-2-4-12(5-3-11)16-19-13(9-22-16)8-20-10-18-14-6-7-23-15(14)17(20)21/h2-7,9-10H,8H2,1H3.
What are the key properties of 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 323.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 39014426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).