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

C18H19NO2 — CID 25241013

IUPAC(4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine
SMILES[2H][C@H]1C(c2ccccc2)=NO[C@@H](OCC)[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/i13D/t13-,16+,18-/m1
InChIKeyKFSMPFBDSPNCRT-ZQAOWDBXSA-N
MW282.36 g/mol
LogP3.96
Rot. Bonds4

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

(4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine (PubChem CID 25241013) has the molecular formula C18H19NO2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name(4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine
PubChem CID25241013
Molecular FormulaC18H19NO2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name(4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine
SMILES[2H][C@H]1C(c2ccccc2)=NO[C@@H](OCC)[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/i13D/t13-,16+,18-/m1
InChIKeyKFSMPFBDSPNCRT-ZQAOWDBXSA-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 ≤ 500282.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine?
The IUPAC name of (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine (CID 25241013) is (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine is [2H][C@H]1C(c2ccccc2)=NO[C@@H](OCC)[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine?
The InChIKey is KFSMPFBDSPNCRT-ZQAOWDBXSA-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/i13D/t13-,16+,18-/m1.
What are the key properties of (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine?
(4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine has a molecular weight of 282.36 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 (4R,5S,6R)-4-deuterio-6-ethoxy-3,5-diphenyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 25241013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).