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

C18H19N3O3 — CID 54592088

IUPAC7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESC[C@@H]1CN(c2cc3c(cn2)OCC(=O)N3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H19N3O3/c1-12-9-21(15(10-23-12)13-5-3-2-4-6-13)17-7-14-16(8-19-17)24-11-18(22)20-14/h2-8,12,15H,9-11H2,1H3,(H,20,22)/t12-,15+/m1/s1
InChIKeyLUEWHQFKXHSTPR-DOMZBBRYSA-N
MW325.37 g/mol
LogP2.38
Rot. Bonds2

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

7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one (PubChem CID 54592088) 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[3,4-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
PubChem CID54592088
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESC[C@@H]1CN(c2cc3c(cn2)OCC(=O)N3)[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H19N3O3/c1-12-9-21(15(10-23-12)13-5-3-2-4-6-13)17-7-14-16(8-19-17)24-11-18(22)20-14/h2-8,12,15H,9-11H2,1H3,(H,20,22)/t12-,15+/m1/s1
InChIKeyLUEWHQFKXHSTPR-DOMZBBRYSA-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

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

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
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U 101958
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6-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
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6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073
N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393192
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393193
2-(2-Methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
N-(2-methoxybenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 3847875

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The IUPAC name of 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one (CID 54592088) is 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The canonical SMILES for 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one is C[C@@H]1CN(c2cc3c(cn2)OCC(=O)N3)[C@H](c2ccccc2)CO1.
What is the InChIKey of 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The InChIKey is LUEWHQFKXHSTPR-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-9-21(15(10-23-12)13-5-3-2-4-6-13)17-7-14-16(8-19-17)24-11-18(22)20-14/h2-8,12,15H,9-11H2,1H3,(H,20,22)/t12-,15+/m1/s1.
What are the key properties of 7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
7-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]-1H-pyrido[3,4-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[3,4-b][1,4]oxazin-2-one is sourced from PubChem (CID 54592088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).