(2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate

C13H12N4O4 — CID 2997552

IUPAC(2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccccc2)n1)OC1CCOC1=O
InChIInChI=1S/C13H12N4O4/c18-11(21-10-6-7-20-13(10)19)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyDYULLLQOCAJIQE-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.20
Rot. Bonds4

About (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate

(2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate (PubChem CID 2997552) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate
PubChem CID2997552
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name(2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccccc2)n1)OC1CCOC1=O
InChIInChI=1S/C13H12N4O4/c18-11(21-10-6-7-20-13(10)19)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyDYULLLQOCAJIQE-UHFFFAOYSA-N
XLogP0.20
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate (CID 2997552) is (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate is O=C(Cn1nnc(-c2ccccc2)n1)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate?
The InChIKey is DYULLLQOCAJIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c18-11(21-10-6-7-20-13(10)19)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate?
(2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate has a molecular weight of 288.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate is sourced from PubChem (CID 2997552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).