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

C14H17FN3O3P — CID 76734339

IUPAC3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
SMILESCPCC1CN(c2ccc(N3C=NOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H17FN3O3P/c1-22-8-11-7-18(14(19)21-11)10-2-3-13(12(15)6-10)17-4-5-20-16-9-17/h2-3,6,9,11,22H,4-5,7-8H2,1H3
InChIKeyJQDMYERKWDMYOO-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.24
Rot. Bonds4

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

3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 76734339) has the molecular formula C14H17FN3O3P and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
PubChem CID76734339
Molecular FormulaC14H17FN3O3P
Molecular Weight325.28 g/mol
Exact Mass325.10
IUPAC Name3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
SMILESCPCC1CN(c2ccc(N3C=NOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H17FN3O3P/c1-22-8-11-7-18(14(19)21-11)10-2-3-13(12(15)6-10)17-4-5-20-16-9-17/h2-3,6,9,11,22H,4-5,7-8H2,1H3
InChIKeyJQDMYERKWDMYOO-UHFFFAOYSA-N
XLogP2.24
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.24
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

(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 58361736
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
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-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-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
CID 89082996
(5R)-3-[4-(1-ethyl-5,6-dihydro-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58361756
3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76734371
(5R)-3-[3-fluoro-4-[methyl(propyl)amino]phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 58361782
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
3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 90929049
[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfinate
CID 143058308
N-[[3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 74951064

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one (CID 76734339) is 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one is CPCC1CN(c2ccc(N3C=NOCC3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is JQDMYERKWDMYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN3O3P/c1-22-8-11-7-18(14(19)21-11)10-2-3-13(12(15)6-10)17-4-5-20-16-9-17/h2-3,6,9,11,22H,4-5,7-8H2,1H3.
What are the key properties of 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one?
3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 325.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 76734339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).