4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one

C16H16N6O3 — CID 154151182

IUPAC4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one
SMILESO=C1CC(c2nc(COc3ccc(-n4cnnn4)cc3)co2)CCN1
InChIInChI=1S/C16H16N6O3/c23-15-7-11(5-6-17-15)16-19-12(9-25-16)8-24-14-3-1-13(2-4-14)22-10-18-20-21-22/h1-4,9-11H,5-8H2,(H,17,23)
InChIKeyYQUCOXVKQPOUDS-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.22
Rot. Bonds5

About 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one

4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one (PubChem CID 154151182) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one
PubChem CID154151182
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one
SMILESO=C1CC(c2nc(COc3ccc(-n4cnnn4)cc3)co2)CCN1
InChIInChI=1S/C16H16N6O3/c23-15-7-11(5-6-17-15)16-19-12(9-25-16)8-24-14-3-1-13(2-4-14)22-10-18-20-21-22/h1-4,9-11H,5-8H2,(H,17,23)
InChIKeyYQUCOXVKQPOUDS-UHFFFAOYSA-N
XLogP1.22
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one?
The IUPAC name of 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one (CID 154151182) is 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one.
What is the SMILES notation for 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one?
The canonical SMILES for 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one is O=C1CC(c2nc(COc3ccc(-n4cnnn4)cc3)co2)CCN1.
What is the InChIKey of 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one?
The InChIKey is YQUCOXVKQPOUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-15-7-11(5-6-17-15)16-19-12(9-25-16)8-24-14-3-1-13(2-4-14)22-10-18-20-21-22/h1-4,9-11H,5-8H2,(H,17,23).
What are the key properties of 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one?
4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one has a molecular weight of 340.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one is sourced from PubChem (CID 154151182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).