(4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol

C14H19NO4 — CID 11471084

IUPAC(4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol
SMILESCO[C@]12CCON(Cc3ccccc3)[C@H]1[C@H](O)CO2
InChIInChI=1S/C14H19NO4/c1-17-14-7-8-19-15(13(14)12(16)10-18-14)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+,14+/m1/s1
InChIKeyZPGNKBFQLGAPBR-RDBSUJKOSA-N
MW265.31 g/mol
LogP0.93
Rot. Bonds3

About (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol

(4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol (PubChem CID 11471084) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol.

Molecular Properties

Compound Name(4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol
PubChem CID11471084
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol
SMILESCO[C@]12CCON(Cc3ccccc3)[C@H]1[C@H](O)CO2
InChIInChI=1S/C14H19NO4/c1-17-14-7-8-19-15(13(14)12(16)10-18-14)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+,14+/m1/s1
InChIKeyZPGNKBFQLGAPBR-RDBSUJKOSA-N
XLogP0.93
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxyoxazinan-5-ol
CID 11221002
(4aS,6S,7R,7aS)-1-benzyl-6-(hydroxymethyl)-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol
CID 60145834
[(3aR,4R,6R,6aR)-4-[benzyl(hydroxy)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 101165636
2-N-Benzyl-2,6-dideoxy-2,6-imino-3,4-O-isopropylidene-D-allononitrile
CID 102360785
2-N-Benzyl-2,6-dideoxy-2,6-imino-3,4-O-isopropylidene-3-C-methyl-D-allononitrile
CID 102360791
(3aR,6R,7R,7aS)-4-[2-(4-fluorophenyl)ethyl]-2-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,6,7-triol
CID 70673966
Diols
CID 11150526
[(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxyoxazinan-5-yl]oxy-tert-butyl-dimethylsilane
CID 11316550
1-Dibenzylamino-1-deoxy-4,5-O-isopropylidene-beta-D-\ fructopyranose
CID 11418138
(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxyoxazinan-5-ol
CID 12156056
[(4R,5S)-5-[(1S)-1-[benzyl(hydroxy)amino]but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 24805375
[(4R,5S)-5-[(1S)-1-[hydroxy-[(1R)-1-phenylprop-2-ynyl]amino]but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 24805377

Frequently Asked Questions

What is the IUPAC name of (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol?
The IUPAC name of (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol (CID 11471084) is (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol.
What is the SMILES notation for (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol?
The canonical SMILES for (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol is CO[C@]12CCON(Cc3ccccc3)[C@H]1[C@H](O)CO2.
What is the InChIKey of (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol?
The InChIKey is ZPGNKBFQLGAPBR-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-14-7-8-19-15(13(14)12(16)10-18-14)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+,14+/m1/s1.
What are the key properties of (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol?
(4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol has a molecular weight of 265.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7S,7aS)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol is sourced from PubChem (CID 11471084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).