[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C13H15N5O2 — CID 94017586

IUPAC[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1
InChIInChI=1S/C13H15N5O2/c1-10-8-17(5-6-20-10)13(19)11-3-2-4-12(7-11)18-9-14-15-16-18/h2-4,7,9-10H,5-6,8H2,1H3/t10-/m1/s1
InChIKeyXORXOJLLXYJNKZ-SNVBAGLBSA-N
MW273.30 g/mol
LogP0.52
Rot. Bonds2

About [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 94017586) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID94017586
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1
InChIInChI=1S/C13H15N5O2/c1-10-8-17(5-6-20-10)13(19)11-3-2-4-12(7-11)18-9-14-15-16-18/h2-4,7,9-10H,5-6,8H2,1H3/t10-/m1/s1
InChIKeyXORXOJLLXYJNKZ-SNVBAGLBSA-N
XLogP0.52
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 94022322
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 52523347
1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 55477811
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 9463055
[3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417243

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 94017586) is [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone is C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1.
What is the InChIKey of [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is XORXOJLLXYJNKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-10-8-17(5-6-20-10)13(19)11-3-2-4-12(7-11)18-9-14-15-16-18/h2-4,7,9-10H,5-6,8H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 273.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 94017586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).