3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane

C16H21N5O — CID 167755070

IUPAC3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1ccc(Cc2nnn(CCN3CC4CCC(C3)O4)n2)cc1
InChIInChI=1S/C16H21N5O/c1-2-4-13(5-3-1)10-16-17-19-21(18-16)9-8-20-11-14-6-7-15(12-20)22-14/h1-5,14-15H,6-12H2
InChIKeyUFVWKJVVWNXKKR-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.13
Rot. Bonds5

About 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 167755070) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID167755070
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1ccc(Cc2nnn(CCN3CC4CCC(C3)O4)n2)cc1
InChIInChI=1S/C16H21N5O/c1-2-4-13(5-3-1)10-16-17-19-21(18-16)9-8-20-11-14-6-7-15(12-20)22-14/h1-5,14-15H,6-12H2
InChIKeyUFVWKJVVWNXKKR-UHFFFAOYSA-N
XLogP1.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-benzyltetrazol-2-yl)methanol
CID 13081003
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
CID 66372167
4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one
CID 155960924
2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole
CID 68649972
5-benzyltetrazole-2-carbonitrile
CID 69031421
2-[2-[(2R)-oxolan-2-yl]ethyl]-5-(phenoxymethyl)tetrazole
CID 100668820
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 66370631
5-benzyl-2-(1-phenylethyl)tetrazole
CID 143087598
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine
CID 66392642
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
4-[(2-ethyltetrazol-5-yl)methyl]phenol
CID 68649637
1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66372166

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 167755070) is 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane is c1ccc(Cc2nnn(CCN3CC4CCC(C3)O4)n2)cc1.
What is the InChIKey of 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is UFVWKJVVWNXKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-4-13(5-3-1)10-16-17-19-21(18-16)9-8-20-11-14-6-7-15(12-20)22-14/h1-5,14-15H,6-12H2.
What are the key properties of 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 299.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 167755070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).