(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one

C14H18N3O3P — CID 58361736

IUPAC(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
SMILESCPC[C@H]1CN(c2ccc(N3C=NOCC3)cc2)C(=O)O1
InChIInChI=1S/C14H18N3O3P/c1-21-9-13-8-17(14(18)20-13)12-4-2-11(3-5-12)16-6-7-19-15-10-16/h2-5,10,13,21H,6-9H2,1H3/t13-/m1/s1
InChIKeyFCSKXASDVSDDJO-CYBMUJFWSA-N
MW307.29 g/mol
LogP2.10
Rot. Bonds4

About (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58361736) has the molecular formula C14H18N3O3P and a molecular weight of 307.29 g/mol. Its IUPAC name is (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
PubChem CID58361736
Molecular FormulaC14H18N3O3P
Molecular Weight307.29 g/mol
Exact Mass307.11
IUPAC Name(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
SMILESCPC[C@H]1CN(c2ccc(N3C=NOCC3)cc2)C(=O)O1
InChIInChI=1S/C14H18N3O3P/c1-21-9-13-8-17(14(18)20-13)12-4-2-11(3-5-12)16-6-7-19-15-10-16/h2-5,10,13,21H,6-9H2,1H3/t13-/m1/s1
InChIKeyFCSKXASDVSDDJO-CYBMUJFWSA-N
XLogP2.10
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 76734339
N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75095689
O-methyl N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 75095692
[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
CID 89082996
3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;O-methyl methanethioate
CID 143963383
N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75096545
N-[[(5S)-3-[4-[6-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66555973
(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58361721
N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 118331324
(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 58361782
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 95564147

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one (CID 58361736) is (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one is CPC[C@H]1CN(c2ccc(N3C=NOCC3)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is FCSKXASDVSDDJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N3O3P/c1-21-9-13-8-17(14(18)20-13)12-4-2-11(3-5-12)16-6-7-19-15-10-16/h2-5,10,13,21H,6-9H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 307.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58361736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).