2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole

C15H9ClN4O2S — CID 4881168

IUPAC2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(COc3ncnc4sccc34)o2)cc1
InChIInChI=1S/C15H9ClN4O2S/c16-10-3-1-9(2-4-10)13-20-19-12(22-13)7-21-14-11-5-6-23-15(11)18-8-17-14/h1-6,8H,7H2
InChIKeyLHQNQUISMPJUQN-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 4881168) has the molecular formula C15H9ClN4O2S and a molecular weight of 344.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole
PubChem CID4881168
Molecular FormulaC15H9ClN4O2S
Molecular Weight344.78 g/mol
Exact Mass344.01
IUPAC Name2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(COc3ncnc4sccc34)o2)cc1
InChIInChI=1S/C15H9ClN4O2S/c16-10-3-1-9(2-4-10)13-20-19-12(22-13)7-21-14-11-5-6-23-15(11)18-8-17-14/h1-6,8H,7H2
InChIKeyLHQNQUISMPJUQN-UHFFFAOYSA-N
XLogP3.97
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole (CID 4881168) is 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(COc3ncnc4sccc34)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is LHQNQUISMPJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2S/c16-10-3-1-9(2-4-10)13-20-19-12(22-13)7-21-14-11-5-6-23-15(11)18-8-17-14/h1-6,8H,7H2.
What are the key properties of 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 344.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(thieno[2,3-d]pyrimidin-4-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 4881168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).