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

C19H21N3O3 — CID 54592011

IUPAC6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H21N3O3/c1-19(2)12-22(14(10-25-19)13-6-4-3-5-7-13)16-9-8-15-18(20-16)21-17(23)11-24-15/h3-9,14H,10-12H2,1-2H3,(H,20,21,23)/t14-/m0/s1
InChIKeyKWJZSHAMCGQCPX-AWEZNQCLSA-N
MW339.40 g/mol
LogP2.77
Rot. Bonds2

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

6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 54592011) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID54592011
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H21N3O3/c1-19(2)12-22(14(10-25-19)13-6-4-3-5-7-13)16-9-8-15-18(20-16)21-17(23)11-24-15/h3-9,14H,10-12H2,1-2H3,(H,20,21,23)/t14-/m0/s1
InChIKeyKWJZSHAMCGQCPX-AWEZNQCLSA-N
XLogP2.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 54592011) is 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC1(C)CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1.
What is the InChIKey of 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is KWJZSHAMCGQCPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2)12-22(14(10-25-19)13-6-4-3-5-7-13)16-9-8-15-18(20-16)21-17(23)11-24-15/h3-9,14H,10-12H2,1-2H3,(H,20,21,23)/t14-/m0/s1.
What are the key properties of 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 339.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 54592011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).