2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone

C13H15N5O2 — CID 67669857

IUPAC2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COn1nnnc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C13H15N5O2/c19-12(17-8-4-5-9-17)10-20-18-13(14-15-16-18)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyQTHVBOMTKZUNNL-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.39
Rot. Bonds4

About 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone

2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone (PubChem CID 67669857) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone
PubChem CID67669857
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COn1nnnc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C13H15N5O2/c19-12(17-8-4-5-9-17)10-20-18-13(14-15-16-18)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyQTHVBOMTKZUNNL-UHFFFAOYSA-N
XLogP0.39
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone
CID 67669355
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
CID 100819889
2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone
CID 94942791
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone
CID 9421864
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
1-(azepan-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2706954
4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile
CID 10449619
2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 95060131
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
2-methoxy-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]ethanone
CID 134801591
2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 95060371

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone (CID 67669857) is 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone is O=C(COn1nnnc1-c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is QTHVBOMTKZUNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-12(17-8-4-5-9-17)10-20-18-13(14-15-16-18)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone?
2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 273.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-1-yl)oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 67669857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).