2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole

C11H11N7O — CID 86784842

IUPAC2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2nnnc2-c2ccncc2)o1
InChIInChI=1S/C11H11N7O/c1-2-9-13-14-10(19-9)7-18-11(15-16-17-18)8-3-5-12-6-4-8/h3-6H,2,7H2,1H3
InChIKeyNJTXSLHPLDQLFX-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.73
Rot. Bonds4

About 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole

2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 86784842) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID86784842
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2nnnc2-c2ccncc2)o1
InChIInChI=1S/C11H11N7O/c1-2-9-13-14-10(19-9)7-18-11(15-16-17-18)8-3-5-12-6-4-8/h3-6H,2,7H2,1H3
InChIKeyNJTXSLHPLDQLFX-UHFFFAOYSA-N
XLogP0.73
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole (CID 86784842) is 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(Cn2nnnc2-c2ccncc2)o1.
What is the InChIKey of 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is NJTXSLHPLDQLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-2-9-13-14-10(19-9)7-18-11(15-16-17-18)8-3-5-12-6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 257.26 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(5-pyridin-4-yltetrazol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 86784842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).