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

C24H20N4O3S — CID 17494379

IUPAC5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2noc(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)n2)c1
InChIInChI=1S/C24H20N4O3S/c1-14-7-8-16(9-15(14)2)19-12-32-23-21(19)24(29)28(13-25-23)11-20-26-22(27-31-20)17-5-4-6-18(10-17)30-3/h4-10,12-13H,11H2,1-3H3
InChIKeyHIODJRDHVXEFRI-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.85
Rot. Bonds5

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

5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 17494379) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID17494379
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2noc(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)n2)c1
InChIInChI=1S/C24H20N4O3S/c1-14-7-8-16(9-15(14)2)19-12-32-23-21(19)24(29)28(13-25-23)11-20-26-22(27-31-20)17-5-4-6-18(10-17)30-3/h4-10,12-13H,11H2,1-3H3
InChIKeyHIODJRDHVXEFRI-UHFFFAOYSA-N
XLogP4.85
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 16578954
5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 24571872
5-(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 992638
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7595330
5-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 2792360
5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
CID 2792004
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 20999134
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 38865781
3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 24576641
6-ethyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 18203193
2-[5-(3-methoxyphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 39158790
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 23408966

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 17494379) is 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one is COc1cccc(-c2noc(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)n2)c1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HIODJRDHVXEFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-14-7-8-16(9-15(14)2)19-12-32-23-21(19)24(29)28(13-25-23)11-20-26-22(27-31-20)17-5-4-6-18(10-17)30-3/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 444.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 17494379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).