(4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one

C15H17NO3 — CID 11021587

IUPAC(4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
SMILESO=C1CC[C@@H](OCc2ccccc2)[C@@H]2C=CCON12
InChIInChI=1S/C15H17NO3/c17-15-9-8-14(13-7-4-10-19-16(13)15)18-11-12-5-2-1-3-6-12/h1-7,13-14H,8-11H2/t13-,14+/m0/s1
InChIKeyZOCZOIINKPOEDO-UONOGXRCSA-N
MW259.31 g/mol
LogP2.06
Rot. Bonds3

About (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one

(4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one (PubChem CID 11021587) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one.

Molecular Properties

Compound Name(4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
PubChem CID11021587
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
SMILESO=C1CC[C@@H](OCc2ccccc2)[C@@H]2C=CCON12
InChIInChI=1S/C15H17NO3/c17-15-9-8-14(13-7-4-10-19-16(13)15)18-11-12-5-2-1-3-6-12/h1-7,13-14H,8-11H2/t13-,14+/m0/s1
InChIKeyZOCZOIINKPOEDO-UONOGXRCSA-N
XLogP2.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexyl(2-phenylmorpholino)methanone
CID 16894670
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CID 10015518
(4aR,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 10377855
3-Methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one
CID 10847959
1-Benzyl-5-(benzyloxy)piperidin-2-one
CID 13115620
(2R,4aR,5S)-2-ethyl-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one
CID 10979067
(6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one
CID 14609818
tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate
CID 24948889
(s)-1-Allyl-3-benzyloxy-2,6-piperidinedione
CID 44550893
(r)-1-Allyl-3-benzyloxy-2,6-piperidinedione
CID 49800298
(5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one
CID 71479670
(8r,8As)-8-(benzyloxy)-5-indolizidinone
CID 129822236

Frequently Asked Questions

What is the IUPAC name of (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one?
The IUPAC name of (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one (CID 11021587) is (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one.
What is the SMILES notation for (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one?
The canonical SMILES for (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one is O=C1CC[C@@H](OCc2ccccc2)[C@@H]2C=CCON12.
What is the InChIKey of (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one?
The InChIKey is ZOCZOIINKPOEDO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15-9-8-14(13-7-4-10-19-16(13)15)18-11-12-5-2-1-3-6-12/h1-7,13-14H,8-11H2/t13-,14+/m0/s1.
What are the key properties of (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one?
(4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one has a molecular weight of 259.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R)-5-phenylmethoxy-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one is sourced from PubChem (CID 11021587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).