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

C19H21N3O4 — CID 66996137

IUPAC6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H21N3O4/c1-24-10-14-9-22(15(11-25-14)13-5-3-2-4-6-13)17-8-7-16-19(20-17)21-18(23)12-26-16/h2-8,14-15H,9-12H2,1H3,(H,20,21,23)/t14-,15-/m0/s1
InChIKeyCJMZQVRZKALNOE-GJZGRUSLSA-N
MW355.39 g/mol
LogP2.01
Rot. Bonds4

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

6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 66996137) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID66996137
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H21N3O4/c1-24-10-14-9-22(15(11-25-14)13-5-3-2-4-6-13)17-8-7-16-19(20-17)21-18(23)12-26-16/h2-8,14-15H,9-12H2,1H3,(H,20,21,23)/t14-,15-/m0/s1
InChIKeyCJMZQVRZKALNOE-GJZGRUSLSA-N
XLogP2.01
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 66996137) is 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1.
What is the InChIKey of 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is CJMZQVRZKALNOE-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-24-10-14-9-22(15(11-25-14)13-5-3-2-4-6-13)17-8-7-16-19(20-17)21-18(23)12-26-16/h2-8,14-15H,9-12H2,1H3,(H,20,21,23)/t14-,15-/m0/s1.
What are the key properties of 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 355.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,5R)-2-(methoxymethyl)-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 66996137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).