2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione

C20H15N7O3 — CID 8994465

IUPAC2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nnn(Cc2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C20H15N7O3/c28-19-14-8-4-5-9-15(14)20(29)26(19)11-10-16-21-25-27(24-16)12-17-22-23-18(30-17)13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyIHYNDIFDVDJEJW-UHFFFAOYSA-N
MW401.39 g/mol
LogP1.61
Rot. Bonds6

About 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione

2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 8994465) has the molecular formula C20H15N7O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID8994465
Molecular FormulaC20H15N7O3
Molecular Weight401.39 g/mol
Exact Mass401.12
IUPAC Name2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nnn(Cc2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C20H15N7O3/c28-19-14-8-4-5-9-15(14)20(29)26(19)11-10-16-21-25-27(24-16)12-17-22-23-18(30-17)13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyIHYNDIFDVDJEJW-UHFFFAOYSA-N
XLogP1.61
TPSA119.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione (CID 8994465) is 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1nnn(Cc2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is IHYNDIFDVDJEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O3/c28-19-14-8-4-5-9-15(14)20(29)26(19)11-10-16-21-25-27(24-16)12-17-22-23-18(30-17)13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 401.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 8994465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).