3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C18H14FN3O2S — CID 31688381

IUPAC3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(Cc3coc(-c4ccc(F)cc4)n3)c(=O)c2c1C
InChIInChI=1S/C18H14FN3O2S/c1-10-11(2)25-17-15(10)18(23)22(9-20-17)7-14-8-24-16(21-14)12-3-5-13(19)6-4-12/h3-6,8-9H,7H2,1-2H3
InChIKeyCUQYAOXCVGXYLS-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.92
Rot. Bonds3

About 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 31688381) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID31688381
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(Cc3coc(-c4ccc(F)cc4)n3)c(=O)c2c1C
InChIInChI=1S/C18H14FN3O2S/c1-10-11(2)25-17-15(10)18(23)22(9-20-17)7-14-8-24-16(21-14)12-3-5-13(19)6-4-12/h3-6,8-9H,7H2,1-2H3
InChIKeyCUQYAOXCVGXYLS-UHFFFAOYSA-N
XLogP3.92
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 31688381) is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(Cc3coc(-c4ccc(F)cc4)n3)c(=O)c2c1C.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CUQYAOXCVGXYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c1-10-11(2)25-17-15(10)18(23)22(9-20-17)7-14-8-24-16(21-14)12-3-5-13(19)6-4-12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 355.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 31688381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).