2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole

C16H12N6O — CID 4792546

IUPAC2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnn(Cc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C16H12N6O/c1-3-7-12(8-4-1)15-18-21-22(20-15)11-14-17-19-16(23-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyJYAIGCBTGMDLRV-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.44
Rot. Bonds4

About 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole

2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole (PubChem CID 4792546) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole
PubChem CID4792546
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnn(Cc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C16H12N6O/c1-3-7-12(8-4-1)15-18-21-22(20-15)11-14-17-19-16(23-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyJYAIGCBTGMDLRV-UHFFFAOYSA-N
XLogP2.44
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole (CID 4792546) is 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole is c1ccc(-c2nnn(Cc3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is JYAIGCBTGMDLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c1-3-7-12(8-4-1)15-18-21-22(20-15)11-14-17-19-16(23-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole?
2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 304.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4792546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).