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

C24H19N3O2S — CID 24571872

IUPAC5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3ncn(Cc4cc(-c5ccccc5)on4)c(=O)c23)cc1C
InChIInChI=1S/C24H19N3O2S/c1-15-8-9-18(10-16(15)2)20-13-30-23-22(20)24(28)27(14-25-23)12-19-11-21(29-26-19)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3
InChIKeyPKDLLVRGQHLPTH-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.45
Rot. Bonds4

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

5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 24571872) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID24571872
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3ncn(Cc4cc(-c5ccccc5)on4)c(=O)c23)cc1C
InChIInChI=1S/C24H19N3O2S/c1-15-8-9-18(10-16(15)2)20-13-30-23-22(20)24(28)27(14-25-23)12-19-11-21(29-26-19)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3
InChIKeyPKDLLVRGQHLPTH-UHFFFAOYSA-N
XLogP5.45
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 17494379
5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 16578954
11-[(5-phenyl-1,2-oxazol-3-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 24565158
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 7646514
5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 731331
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 8006059
2-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28899617
2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 30327522
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7595330

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 24571872) is 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3ncn(Cc4cc(-c5ccccc5)on4)c(=O)c23)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PKDLLVRGQHLPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-15-8-9-18(10-16(15)2)20-13-30-23-22(20)24(28)27(14-25-23)12-19-11-21(29-26-19)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 413.50 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24571872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).