(5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine

C18H19NO2 — CID 12026321

IUPAC(5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine
SMILESCCO[C@@H]1ON=C(c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-20-18-16(14-9-5-3-6-10-14)13-17(19-21-18)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-,18+/m0/s1
InChIKeyKFSMPFBDSPNCRT-FUHWJXTLSA-N
MW281.36 g/mol
LogP3.96
Rot. Bonds4

About (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine

(5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine (PubChem CID 12026321) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name(5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine
PubChem CID12026321
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine
SMILESCCO[C@@H]1ON=C(c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-20-18-16(14-9-5-3-6-10-14)13-17(19-21-18)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-,18+/m0/s1
InChIKeyKFSMPFBDSPNCRT-FUHWJXTLSA-N
XLogP3.96
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine?
The IUPAC name of (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine (CID 12026321) is (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine is CCO[C@@H]1ON=C(c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine?
The InChIKey is KFSMPFBDSPNCRT-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-20-18-16(14-9-5-3-6-10-14)13-17(19-21-18)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-,18+/m0/s1.
What are the key properties of (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine?
(5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine has a molecular weight of 281.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 12026321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).