(4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one

C20H21NO4 — CID 11035176

IUPAC(4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCCOC(C)O[C@H]1C(=O)OC(c2ccccc2)=N[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-3-23-14(2)24-18-17(15-10-6-4-7-11-15)21-19(25-20(18)22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1
InChIKeyWSKFEANLIDSKSN-CXRLMVSZSA-N
MW339.39 g/mol
LogP3.50
Rot. Bonds6

About (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one

(4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 11035176) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name(4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID11035176
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCCOC(C)O[C@H]1C(=O)OC(c2ccccc2)=N[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-3-23-14(2)24-18-17(15-10-6-4-7-11-15)21-19(25-20(18)22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1
InChIKeyWSKFEANLIDSKSN-CXRLMVSZSA-N
XLogP3.50
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one (CID 11035176) is (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one is CCOC(C)O[C@H]1C(=O)OC(c2ccccc2)=N[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is WSKFEANLIDSKSN-CXRLMVSZSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-23-14(2)24-18-17(15-10-6-4-7-11-15)21-19(25-20(18)22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1.
What are the key properties of (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one?
(4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 339.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 11035176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).