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

C14H19NO4 — CID 24787389

IUPAC(4aR,7R,7aR)-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+/m0/s1
InChIKeyZPGNKBFQLGAPBR-BFHYXJOUSA-N
MW265.31 g/mol
LogP0.93
Rot. Bonds3

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

(4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol (PubChem CID 24787389) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol.

Molecular Properties

Compound Name(4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol
PubChem CID24787389
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(4aR,7R,7aR)-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+/m0/s1
InChIKeyZPGNKBFQLGAPBR-BFHYXJOUSA-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

Analyze (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol with MolForge

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Launch Full Analysis

Related Compounds

(3S,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4-dimethoxyoxazinan-5-ol
CID 11175642
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylideneoxazinane
CID 135011069
(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol
CID 130977558
ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10912885
methyl (3R,4S)-2-benzyl-3-thiophen-2-yl-1,2-oxazolidine-4-carboxylate
CID 15441051
benzyl-[(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)methyl]carbamic acid
CID 66953944
(3aR,5R,6S,6aR)-1-benzyl-5-(hydroxymethyl)-5-phenylmethoxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazol-6-ol
CID 10689562
(4S,5R,6S)-1-benzyl-4-(hydroxymethyl)-5-phenylmethoxy-3a,5,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole-4,6-diol
CID 134833173
methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate
CID 101184077
1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine
CID 174956236
1-benzyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazole-5-carboxylic acid
CID 146458152
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171

Frequently Asked Questions

What is the IUPAC name of (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol?
The IUPAC name of (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol (CID 24787389) is (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol.
What is the SMILES notation for (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol?
The canonical SMILES for (4aR,7R,7aR)-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 (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol?
The InChIKey is ZPGNKBFQLGAPBR-BFHYXJOUSA-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+/m0/s1.
What are the key properties of (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol?
(4aR,7R,7aR)-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 (4aR,7R,7aR)-1-benzyl-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol is sourced from PubChem (CID 24787389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).