(4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one

C15H22N2O3 — CID 102464279

IUPAC(4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one
SMILESCCC[C@@H]1C(=O)N(Cc2ccccc2)OC[C@H]1NOC
InChIInChI=1S/C15H22N2O3/c1-3-7-13-14(16-19-2)11-20-17(15(13)18)10-12-8-5-4-6-9-12/h4-6,8-9,13-14,16H,3,7,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyNSGASNNGGNQHBM-UONOGXRCSA-N
MW278.35 g/mol
LogP1.90
Rot. Bonds6

About (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one

(4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one (PubChem CID 102464279) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one.

Molecular Properties

Compound Name(4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one
PubChem CID102464279
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one
SMILESCCC[C@@H]1C(=O)N(Cc2ccccc2)OC[C@H]1NOC
InChIInChI=1S/C15H22N2O3/c1-3-7-13-14(16-19-2)11-20-17(15(13)18)10-12-8-5-4-6-9-12/h4-6,8-9,13-14,16H,3,7,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyNSGASNNGGNQHBM-UONOGXRCSA-N
XLogP1.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-2-benzyl-4-(2-methylpropyl)-5-(phenylmethoxyamino)oxazinan-3-one
CID 102464280
(4aS,6R,8aR)-3-benzyl-6-methyl-4a,5,6,8a-tetrahydro-1H-2,3-benzoxazin-4-one
CID 15497976
(4aS,5R,6S,8aR)-3-benzyl-5,6-dimethyl-4a,5,6,8a-tetrahydro-1H-2,3-benzoxazin-4-one
CID 15497988
1-benzyl-4-(methoxyamino)-3-(phenylsulfanylmethyl)pyrrolidin-2-one
CID 11290822
tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate
CID 147034000
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
CID 45095274
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
CID 23572772
methyl (1R,4S,5S,7R)-3-benzyl-4-(hydroxymethyl)-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
CID 11098837
1-benzyl-2-propylpiperidin-4-one
CID 123828340
(4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide
CID 71496893
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one?
The IUPAC name of (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one (CID 102464279) is (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one.
What is the SMILES notation for (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one?
The canonical SMILES for (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one is CCC[C@@H]1C(=O)N(Cc2ccccc2)OC[C@H]1NOC.
What is the InChIKey of (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one?
The InChIKey is NSGASNNGGNQHBM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-7-13-14(16-19-2)11-20-17(15(13)18)10-12-8-5-4-6-9-12/h4-6,8-9,13-14,16H,3,7,10-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one?
(4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one has a molecular weight of 278.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-benzyl-5-(methoxyamino)-4-propyloxazinan-3-one is sourced from PubChem (CID 102464279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).