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

C18H19N3O3 — CID 54592009

IUPAC6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1
InChIKeyNDBQYPUELRHJBZ-OCCSQVGLSA-N
MW325.37 g/mol
LogP2.38
Rot. Bonds2

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

6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 54592009) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID54592009
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1
InChIKeyNDBQYPUELRHJBZ-OCCSQVGLSA-N
XLogP2.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 54592009) is 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1.
What is the InChIKey of 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is NDBQYPUELRHJBZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1.
What are the key properties of 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 325.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 54592009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).