morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone

C13H15NO3 — CID 10799631

IUPACmorpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
SMILESO=C([C@@H]1O[C@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H15NO3/c15-13(14-6-8-16-9-7-14)12-11(17-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1
InChIKeySXTIUOABQZJHBW-NWDGAFQWSA-N
MW233.27 g/mol
LogP0.99
Rot. Bonds2

About morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone

morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone (PubChem CID 10799631) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
PubChem CID10799631
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemorpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
SMILESO=C([C@@H]1O[C@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H15NO3/c15-13(14-6-8-16-9-7-14)12-11(17-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1
InChIKeySXTIUOABQZJHBW-NWDGAFQWSA-N
XLogP0.99
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
CID 131753145
1-(2,6-Difluorophenyl)-2-morpholino-2-oxoethyl acetate
CID 3781514
2-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
(2R)-2-methoxy-2-phenyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 50956380
2-cyclopentyloxy-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 53562632
2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 53564538
(2R,3S)-N-Methyl-3-phenyl-N-[(Z)-2-phenylvinyl]-2-oxiranecarboxamide
CID 6442212
(2S,3R)-N-Methyl-3-phenyl-N-((1Z)-2-phenylethenyl)-2-oxiranecarboxamide
CID 10492939

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone (CID 10799631) is morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone is O=C([C@@H]1O[C@H]1c1ccccc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The InChIKey is SXTIUOABQZJHBW-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(14-6-8-16-9-7-14)12-11(17-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1.
What are the key properties of morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone has a molecular weight of 233.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone is sourced from PubChem (CID 10799631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).