2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole

C14H9N7OS — CID 2466423

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(-n2nnnc2Sc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H9N7OS/c1-2-6-11(7-3-1)21-13(17-19-20-21)23-14-18-16-12(22-14)10-5-4-8-15-9-10/h1-9H
InChIKeyUNSTYLJWYHPVJV-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.26
Rot. Bonds4

About 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole

2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 2466423) has the molecular formula C14H9N7OS and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID2466423
Molecular FormulaC14H9N7OS
Molecular Weight323.34 g/mol
Exact Mass323.06
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(-n2nnnc2Sc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H9N7OS/c1-2-6-11(7-3-1)21-13(17-19-20-21)23-14-18-16-12(22-14)10-5-4-8-15-9-10/h1-9H
InChIKeyUNSTYLJWYHPVJV-UHFFFAOYSA-N
XLogP2.26
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole (CID 2466423) is 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole is c1ccc(-n2nnnc2Sc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is UNSTYLJWYHPVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N7OS/c1-2-6-11(7-3-1)21-13(17-19-20-21)23-14-18-16-12(22-14)10-5-4-8-15-9-10/h1-9H.
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 323.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2466423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).