N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C15H17N5O3 — CID 156608301

IUPACN-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NC1CC2OCCC12
InChIInChI=1S/C15H17N5O3/c21-15(17-13-7-14-12(13)4-5-22-14)8-23-11-3-1-2-10(6-11)20-9-16-18-19-20/h1-3,6,9,12-14H,4-5,7-8H2,(H,17,21)
InChIKeyQENJBZPKOURACE-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.33
Rot. Bonds5

About N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 156608301) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID156608301
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NC1CC2OCCC12
InChIInChI=1S/C15H17N5O3/c21-15(17-13-7-14-12(13)4-5-22-14)8-23-11-3-1-2-10(6-11)20-9-16-18-19-20/h1-3,6,9,12-14H,4-5,7-8H2,(H,17,21)
InChIKeyQENJBZPKOURACE-UHFFFAOYSA-N
XLogP0.33
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792621
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769172
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
CID 7768488
N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768398
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769056
N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 4858188
N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 91839880
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118763560

Frequently Asked Questions

What is the IUPAC name of N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 156608301) is N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)NC1CC2OCCC12.
What is the InChIKey of N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is QENJBZPKOURACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-15(17-13-7-14-12(13)4-5-22-14)8-23-11-3-1-2-10(6-11)20-9-16-18-19-20/h1-3,6,9,12-14H,4-5,7-8H2,(H,17,21).
What are the key properties of N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 315.33 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 156608301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).