(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone

C14H17NO3 — CID 154879876

IUPAC(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
SMILESCC1CN(C(=O)C2CO2)C(c2ccccc2)CO1
InChIInChI=1S/C14H17NO3/c1-10-7-15(14(16)13-9-18-13)12(8-17-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyFXVHKMKKDMTKDH-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.37
Rot. Bonds2

About (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone

(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone (PubChem CID 154879876) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
PubChem CID154879876
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
SMILESCC1CN(C(=O)C2CO2)C(c2ccccc2)CO1
InChIInChI=1S/C14H17NO3/c1-10-7-15(14(16)13-9-18-13)12(8-17-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyFXVHKMKKDMTKDH-UHFFFAOYSA-N
XLogP1.37
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
CID 124694261
2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
CID 124686301
(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
CID 124890111
1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
CID 124882003
(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124572458
4-(3-fluoroprop-1-en-2-yl)-2-methyl-5-phenylmorpholine
CID 142383852
2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119335324
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 111540812
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
CID 71925676
2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 71993114
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151
[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 97023947

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone?
The IUPAC name of (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone (CID 154879876) is (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone.
What is the SMILES notation for (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone?
The canonical SMILES for (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone is CC1CN(C(=O)C2CO2)C(c2ccccc2)CO1.
What is the InChIKey of (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone?
The InChIKey is FXVHKMKKDMTKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-7-15(14(16)13-9-18-13)12(8-17-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3.
What are the key properties of (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone?
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone is sourced from PubChem (CID 154879876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).