(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone

C19H19N5O2 — CID 96558413

IUPAC(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C([C@H](c1ccccc1)n1cnnn1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H19N5O2/c25-19(18(24-14-20-21-22-24)16-9-5-2-6-10-16)23-11-12-26-17(13-23)15-7-3-1-4-8-15/h1-10,14,17-18H,11-13H2/t17-,18+/m1/s1
InChIKeyDWXVPFZDYBUWLU-MSOLQXFVSA-N
MW349.39 g/mol
LogP1.86
Rot. Bonds4

About (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone

(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 96558413) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID96558413
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C([C@H](c1ccccc1)n1cnnn1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H19N5O2/c25-19(18(24-14-20-21-22-24)16-9-5-2-6-10-16)23-11-12-26-17(13-23)15-7-3-1-4-8-15/h1-10,14,17-18H,11-13H2/t17-,18+/m1/s1
InChIKeyDWXVPFZDYBUWLU-MSOLQXFVSA-N
XLogP1.86
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one
CID 125432054
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
imidazol-1-yl-(2-phenylmorpholin-4-yl)methanone
CID 112725534
4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid
CID 119239723
[3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 51044543
(2R)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 132992813
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone (CID 96558413) is (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone is O=C([C@H](c1ccccc1)n1cnnn1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is DWXVPFZDYBUWLU-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(18(24-14-20-21-22-24)16-9-5-2-6-10-16)23-11-12-26-17(13-23)15-7-3-1-4-8-15/h1-10,14,17-18H,11-13H2/t17-,18+/m1/s1.
What are the key properties of (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 349.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 96558413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).