(2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one

C19H27NO5 — CID 135050355

IUPAC(2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one
SMILESCOCOCC[C@@H]1CCC2[C@@H](OCc3ccccc3)CCC(=O)N2O1
InChIInChI=1S/C19H27NO5/c1-22-14-23-12-11-16-7-8-17-18(9-10-19(21)20(17)25-16)24-13-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3/t16-,17?,18-/m0/s1
InChIKeyQOIOXHNDTXKWEB-RGBJRUIASA-N
MW349.43 g/mol
LogP2.67
Rot. Bonds8

About (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one

(2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one (PubChem CID 135050355) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one.

Molecular Properties

Compound Name(2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one
PubChem CID135050355
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name(2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one
SMILESCOCOCC[C@@H]1CCC2[C@@H](OCc3ccccc3)CCC(=O)N2O1
InChIInChI=1S/C19H27NO5/c1-22-14-23-12-11-16-7-8-17-18(9-10-19(21)20(17)25-16)24-13-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3/t16-,17?,18-/m0/s1
InChIKeyQOIOXHNDTXKWEB-RGBJRUIASA-N
XLogP2.67
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one with MolForge

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Launch Full Analysis

Related Compounds

(4aR,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 10377855
(2R,4aR,5S)-2-ethyl-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 10979067
(4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 11021587
(2R,4aS,8aS)-2-phenyl-4,4a,5,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridin-6-one
CID 25189016
8-Methyl-6-(phenylmethoxymethyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 76044718
(2S,5S,7S)-7-hydroxy-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 134905223
(2S,5S,7R)-7-hydroxy-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 134905302
(2S,4aR,5S)-2-ethyl-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 164667963
[(3S,4R,4aR,5R)-4-acetyloxy-8-oxo-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-3-yl] acetate
CID 10068151
1-phenyl-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 141172706
(2S,7S,9R)-7-phenylmethoxy-2-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]tridecan-12-one
CID 177058033
(3S,4R,4aS,5R)-3,4-dihydroxy-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 10334570

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one?
The IUPAC name of (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one (CID 135050355) is (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one.
What is the SMILES notation for (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one?
The canonical SMILES for (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one is COCOCC[C@@H]1CCC2[C@@H](OCc3ccccc3)CCC(=O)N2O1.
What is the InChIKey of (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one?
The InChIKey is QOIOXHNDTXKWEB-RGBJRUIASA-N. The full InChI is InChI=1S/C19H27NO5/c1-22-14-23-12-11-16-7-8-17-18(9-10-19(21)20(17)25-16)24-13-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3/t16-,17?,18-/m0/s1.
What are the key properties of (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one?
(2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one has a molecular weight of 349.43 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[2-(methoxymethoxy)ethyl]-5-phenylmethoxy-3,4,4a,5,6,7-hexahydro-2H-pyrido[1,2-b]oxazin-8-one is sourced from PubChem (CID 135050355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).