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

C16H12N4O2S — CID 38827444

IUPAC3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2nnc(Cn3cnc4sccc4c3=O)o2)cc1
InChIInChI=1S/C16H12N4O2S/c1-10-2-4-11(5-3-10)14-19-18-13(22-14)8-20-9-17-15-12(16(20)21)6-7-23-15/h2-7,9H,8H2,1H3
InChIKeyPNBACMYGLZFRPT-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.86
Rot. Bonds3

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

3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 38827444) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID38827444
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2nnc(Cn3cnc4sccc4c3=O)o2)cc1
InChIInChI=1S/C16H12N4O2S/c1-10-2-4-11(5-3-10)14-19-18-13(22-14)8-20-9-17-15-12(16(20)21)6-7-23-15/h2-7,9H,8H2,1H3
InChIKeyPNBACMYGLZFRPT-UHFFFAOYSA-N
XLogP2.86
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

11-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 16764800
6-ethyl-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 18102690
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
CID 9369350
3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 46678669
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 114218090
3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18195406
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 55184366
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 39013477
1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 39967056
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 110896890
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 120859273
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 55494480

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 38827444) is 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2nnc(Cn3cnc4sccc4c3=O)o2)cc1.
What is the InChIKey of 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PNBACMYGLZFRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-10-2-4-11(5-3-10)14-19-18-13(22-14)8-20-9-17-15-12(16(20)21)6-7-23-15/h2-7,9H,8H2,1H3.
What are the key properties of 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 324.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 38827444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).