ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

C13H20FN2O2P — CID 178041947

IUPACethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCC.CCC(F)(P)C1OC(=O)Nc2nccc(C)c21
InChIInChI=1S/C11H14FN2O2P.C2H6/c1-3-11(12,17)8-7-6(2)4-5-13-9(7)14-10(15)16-8;1-2/h4-5,8H,3,17H2,1-2H3,(H,13,14,15);1-2H3
InChIKeySFRUDIYMFWCWIT-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.97
Rot. Bonds2

About ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 178041947) has the molecular formula C13H20FN2O2P and a molecular weight of 286.29 g/mol. Its IUPAC name is ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Nameethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
PubChem CID178041947
Molecular FormulaC13H20FN2O2P
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Nameethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCC.CCC(F)(P)C1OC(=O)Nc2nccc(C)c21
InChIInChI=1S/C11H14FN2O2P.C2H6/c1-3-11(12,17)8-7-6(2)4-5-13-9(7)14-10(15)16-8;1-2/h4-5,8H,3,17H2,1-2H3,(H,13,14,15);1-2H3
InChIKeySFRUDIYMFWCWIT-UHFFFAOYSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (CID 178041947) is ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is CC.CCC(F)(P)C1OC(=O)Nc2nccc(C)c21.
What is the InChIKey of ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is SFRUDIYMFWCWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN2O2P.C2H6/c1-3-11(12,17)8-7-6(2)4-5-13-9(7)14-10(15)16-8;1-2/h4-5,8H,3,17H2,1-2H3,(H,13,14,15);1-2H3.
What are the key properties of ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 286.29 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(1-fluoro-1-phosphanylpropyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 178041947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).