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

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Related Compounds

2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 18165684
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
5-(furan-2-yl)-3-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,2-oxazole
CID 26676390
2-[1-(3,3-dimethylbutyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 154460364
4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride
CID 68984463
2-(2-methoxyphenyl)-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 55356626
methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate
CID 25025307
N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 25025310
1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 91946446
4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 158289912
1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine
CID 89157981
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380

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).