7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one

C18H19N3O3 — CID 66996063

IUPAC7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESC[C@@H]1CN(c2cnc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H19N3O3/c1-12-9-21(16(10-23-12)13-5-3-2-4-6-13)14-7-15-18(19-8-14)24-11-17(22)20-15/h2-8,12,16H,9-11H2,1H3,(H,20,22)/t12-,16+/m1/s1
InChIKeyYEFMFDYTYWBJCT-WBMJQRKESA-N
MW325.37 g/mol
LogP2.38
Rot. Bonds2

About 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one

7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 66996063) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID66996063
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESC[C@@H]1CN(c2cnc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H19N3O3/c1-12-9-21(16(10-23-12)13-5-3-2-4-6-13)14-7-15-18(19-8-14)24-11-17(22)20-15/h2-8,12,16H,9-11H2,1H3,(H,20,22)/t12-,16+/m1/s1
InChIKeyYEFMFDYTYWBJCT-WBMJQRKESA-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 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 66996063) is 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one is C[C@@H]1CN(c2cnc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1.
What is the InChIKey of 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is YEFMFDYTYWBJCT-WBMJQRKESA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-9-21(16(10-23-12)13-5-3-2-4-6-13)14-7-15-18(19-8-14)24-11-17(22)20-15/h2-8,12,16H,9-11H2,1H3,(H,20,22)/t12-,16+/m1/s1.
What are the key properties of 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-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 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 66996063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).