6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C18H19N3O4 — CID 66996020

IUPAC6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3C[C@@H](CO)OC[C@H]3c3ccccc3)nc2N1
InChIInChI=1S/C18H19N3O4/c22-9-13-8-21(14(10-24-13)12-4-2-1-3-5-12)16-7-6-15-18(19-16)20-17(23)11-25-15/h1-7,13-14,22H,8-11H2,(H,19,20,23)/t13-,14-/m0/s1
InChIKeyLFDYQGVYJNXWSB-KBPBESRZSA-N
MW341.37 g/mol
LogP1.35
Rot. Bonds3

About 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 66996020) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID66996020
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3C[C@@H](CO)OC[C@H]3c3ccccc3)nc2N1
InChIInChI=1S/C18H19N3O4/c22-9-13-8-21(14(10-24-13)12-4-2-1-3-5-12)16-7-6-15-18(19-16)20-17(23)11-25-15/h1-7,13-14,22H,8-11H2,(H,19,20,23)/t13-,14-/m0/s1
InChIKeyLFDYQGVYJNXWSB-KBPBESRZSA-N
XLogP1.35
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 44594174
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 54590901
6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592009
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592010
(R)-6-(2,2-dimethyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592011
7-((2R,5R)-2-methyl-5-phenylmorpholino)-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one
CID 54592088
2-((2R,5R)-4-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl)acetonitrile
CID 54592089
6-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592090
6-[(2R,5R)-5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592092
6-((2S,5R)-2-(methoxymethyl)-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996137
6-((2S,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996560
6-[[[(3R,6S)-6-[(1S)-1-hydroxy-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137643211

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 66996020) is 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3C[C@@H](CO)OC[C@H]3c3ccccc3)nc2N1.
What is the InChIKey of 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is LFDYQGVYJNXWSB-KBPBESRZSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-9-13-8-21(14(10-24-13)12-4-2-1-3-5-12)16-7-6-15-18(19-16)20-17(23)11-25-15/h1-7,13-14,22H,8-11H2,(H,19,20,23)/t13-,14-/m0/s1.
What are the key properties of 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 341.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,5R)-2-(hydroxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 66996020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).