2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C18H11N7OS — CID 90182686

IUPAC2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc3ncnc(Sc4nnc(-c5ccncc5)o4)c3[nH]2)cc1
InChIInChI=1S/C18H11N7OS/c1-2-4-11(5-3-1)14-22-13-15(23-14)20-10-21-17(13)27-18-25-24-16(26-18)12-6-8-19-9-7-12/h1-10H,(H,20,21,22,23)
InChIKeyQNUDWJKYUHRDEW-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.62
Rot. Bonds4

About 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 90182686) has the molecular formula C18H11N7OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID90182686
Molecular FormulaC18H11N7OS
Molecular Weight373.40 g/mol
Exact Mass373.07
IUPAC Name2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc3ncnc(Sc4nnc(-c5ccncc5)o4)c3[nH]2)cc1
InChIInChI=1S/C18H11N7OS/c1-2-4-11(5-3-1)14-22-13-15(23-14)20-10-21-17(13)27-18-25-24-16(26-18)12-6-8-19-9-7-12/h1-10H,(H,20,21,22,23)
InChIKeyQNUDWJKYUHRDEW-UHFFFAOYSA-N
XLogP3.62
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 90182686) is 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is c1ccc(-c2nc3ncnc(Sc4nnc(-c5ccncc5)o4)c3[nH]2)cc1.
What is the InChIKey of 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is QNUDWJKYUHRDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N7OS/c1-2-4-11(5-3-1)14-22-13-15(23-14)20-10-21-17(13)27-18-25-24-16(26-18)12-6-8-19-9-7-12/h1-10H,(H,20,21,22,23).
What are the key properties of 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 373.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-phenyl-7H-purin-6-yl)sulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 90182686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).