5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one

C15H21N2O3P — CID 144591667

IUPAC5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one
SMILESCCC1CN(c2ccc(N3CCOCC3)c(P)c2)C(=O)O1
InChIInChI=1S/C15H21N2O3P/c1-2-12-10-17(15(18)20-12)11-3-4-13(14(21)9-11)16-5-7-19-8-6-16/h3-4,9,12H,2,5-8,10,21H2,1H3
InChIKeyOLNRBOOWOOPQRJ-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.76
Rot. Bonds3

About 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one

5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one (PubChem CID 144591667) has the molecular formula C15H21N2O3P and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one
PubChem CID144591667
Molecular FormulaC15H21N2O3P
Molecular Weight308.32 g/mol
Exact Mass308.13
IUPAC Name5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one
SMILESCCC1CN(c2ccc(N3CCOCC3)c(P)c2)C(=O)O1
InChIInChI=1S/C15H21N2O3P/c1-2-12-10-17(15(18)20-12)11-3-4-13(14(21)9-11)16-5-7-19-8-6-16/h3-4,9,12H,2,5-8,10,21H2,1H3
InChIKeyOLNRBOOWOOPQRJ-UHFFFAOYSA-N
XLogP1.76
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one
CID 118177592
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
(5S)-5-ethyl-3-[3-fluoro-4-(4-isocyanopiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 91016605
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-sulfanylformamide
CID 87931203
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxypentanamide
CID 162459116
(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[(4-methylphenyl)methylamino]methyl]-1,3-oxazolidin-2-one
CID 71623676
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 90213724
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one (CID 144591667) is 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one is CCC1CN(c2ccc(N3CCOCC3)c(P)c2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is OLNRBOOWOOPQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N2O3P/c1-2-12-10-17(15(18)20-12)11-3-4-13(14(21)9-11)16-5-7-19-8-6-16/h3-4,9,12H,2,5-8,10,21H2,1H3.
What are the key properties of 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one?
5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 308.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 144591667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).