(5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine

C14H19NO2 — CID 138967074

IUPAC(5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine
SMILESCOC1=N[C@@H](Cc2ccccc2)C(C)(C)OC1
InChIInChI=1S/C14H19NO2/c1-14(2)12(15-13(16-3)10-17-14)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyFXQVJZJTXNOBLU-LBPRGKRZSA-N
MW233.31 g/mol
LogP2.45
Rot. Bonds2

About (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine

(5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine (PubChem CID 138967074) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine.

Molecular Properties

Compound Name(5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine
PubChem CID138967074
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine
SMILESCOC1=N[C@@H](Cc2ccccc2)C(C)(C)OC1
InChIInChI=1S/C14H19NO2/c1-14(2)12(15-13(16-3)10-17-14)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyFXQVJZJTXNOBLU-LBPRGKRZSA-N
XLogP2.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
AG-H-02521
CID 5325154
rel-(R,S)-4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 697917
4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 3782418
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4S)-2-[(4S)-4-benzyl(1,3-oxazolin-2-yl)]-4-benzyl-1,3-oxazoline
CID 6732838
2,2'-Bis[(4R)-4-Benzyl-2-Oxazoline]
CID 697920
(2S,5R)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-5-benzyl-5-methylpyrazine
CID 10989847
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
(4S)-4-[(2,6-difluorophenyl)methyl]-2-methyl-4,5-dihydro-1,3-oxazole
CID 135295868
3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine
CID 170345775
(S)-4-Isopropyl-2-phenethyl-4,5-dihydrooxazole
CID 13435839

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine?
The IUPAC name of (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine (CID 138967074) is (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine.
What is the SMILES notation for (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine?
The canonical SMILES for (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine is COC1=N[C@@H](Cc2ccccc2)C(C)(C)OC1.
What is the InChIKey of (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine?
The InChIKey is FXQVJZJTXNOBLU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)12(15-13(16-3)10-17-14)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine?
(5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine has a molecular weight of 233.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine is sourced from PubChem (CID 138967074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).