7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one

C15H11N5O2 — CID 70472017

IUPAC7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one
SMILESO=C1CNc2c(Oc3nnnn3-c3ccccc3)cccc21
InChIInChI=1S/C15H11N5O2/c21-12-9-16-14-11(12)7-4-8-13(14)22-15-17-18-19-20(15)10-5-2-1-3-6-10/h1-8,16H,9H2
InChIKeyAQIQQXFMYAEOMS-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.06
Rot. Bonds3

About 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one

7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one (PubChem CID 70472017) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one
PubChem CID70472017
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one
SMILESO=C1CNc2c(Oc3nnnn3-c3ccccc3)cccc21
InChIInChI=1S/C15H11N5O2/c21-12-9-16-14-11(12)7-4-8-13(14)22-15-17-18-19-20(15)10-5-2-1-3-6-10/h1-8,16H,9H2
InChIKeyAQIQQXFMYAEOMS-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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5-(3-nitrophenoxy)-1-phenyltetrazole
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Frequently Asked Questions

What is the IUPAC name of 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one?
The IUPAC name of 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one (CID 70472017) is 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one.
What is the SMILES notation for 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one?
The canonical SMILES for 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one is O=C1CNc2c(Oc3nnnn3-c3ccccc3)cccc21.
What is the InChIKey of 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one?
The InChIKey is AQIQQXFMYAEOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c21-12-9-16-14-11(12)7-4-8-13(14)22-15-17-18-19-20(15)10-5-2-1-3-6-10/h1-8,16H,9H2.
What are the key properties of 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one?
7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one has a molecular weight of 293.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one is sourced from PubChem (CID 70472017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).