(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one

C14H17N5O2 — CID 125432054

IUPAC(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1cnnn1
InChIInChI=1S/C14H17N5O2/c1-11(19-10-15-16-17-19)14(20)18-7-8-21-13(9-18)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/t11-,13+/m0/s1
InChIKeyTYAFJZPCERRKOP-WCQYABFASA-N
MW287.32 g/mol
LogP0.83
Rot. Bonds3

About (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one

(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one (PubChem CID 125432054) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one
PubChem CID125432054
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1cnnn1
InChIInChI=1S/C14H17N5O2/c1-11(19-10-15-16-17-19)14(20)18-7-8-21-13(9-18)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/t11-,13+/m0/s1
InChIKeyTYAFJZPCERRKOP-WCQYABFASA-N
XLogP0.83
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 96558413
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696
(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 124588141
[3,4-dimethyl-2-(tetrazol-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 51044543
(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94021616
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
imidazol-1-yl-(2-phenylmorpholin-4-yl)methanone
CID 112725534
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one (CID 125432054) is (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one is C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1cnnn1.
What is the InChIKey of (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is TYAFJZPCERRKOP-WCQYABFASA-N. The full InChI is InChI=1S/C14H17N5O2/c1-11(19-10-15-16-17-19)14(20)18-7-8-21-13(9-18)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/t11-,13+/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one?
(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 287.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 125432054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).