4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine

C21H30N3O4P — CID 95384544

IUPAC4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine
SMILESCCO[P@@](=O)(c1nc(-c2ccc(C)cc2)oc1N1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H30N3O4P/c1-3-27-29(25,24-13-15-26-16-14-24)20-21(23-11-5-4-6-12-23)28-19(22-20)18-9-7-17(2)8-10-18/h7-10H,3-6,11-16H2,1-2H3/t29-/m0/s1
InChIKeyYWCWTXKQCUJGBQ-LJAQVGFWSA-N
MW419.46 g/mol
LogP3.83
Rot. Bonds6

About 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine

4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine (PubChem CID 95384544) has the molecular formula C21H30N3O4P and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine.

Molecular Properties

Compound Name4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine
PubChem CID95384544
Molecular FormulaC21H30N3O4P
Molecular Weight419.46 g/mol
Exact Mass419.20
IUPAC Name4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine
SMILESCCO[P@@](=O)(c1nc(-c2ccc(C)cc2)oc1N1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H30N3O4P/c1-3-27-29(25,24-13-15-26-16-14-24)20-21(23-11-5-4-6-12-23)28-19(22-20)18-9-7-17(2)8-10-18/h7-10H,3-6,11-16H2,1-2H3/t29-/m0/s1
InChIKeyYWCWTXKQCUJGBQ-LJAQVGFWSA-N
XLogP3.83
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine?
The IUPAC name of 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine (CID 95384544) is 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine.
What is the SMILES notation for 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine?
The canonical SMILES for 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine is CCO[P@@](=O)(c1nc(-c2ccc(C)cc2)oc1N1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine?
The InChIKey is YWCWTXKQCUJGBQ-LJAQVGFWSA-N. The full InChI is InChI=1S/C21H30N3O4P/c1-3-27-29(25,24-13-15-26-16-14-24)20-21(23-11-5-4-6-12-23)28-19(22-20)18-9-7-17(2)8-10-18/h7-10H,3-6,11-16H2,1-2H3/t29-/m0/s1.
What are the key properties of 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine?
4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine has a molecular weight of 419.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy-[2-(4-methylphenyl)-5-piperidin-1-yl-1,3-oxazol-4-yl]phosphoryl]morpholine is sourced from PubChem (CID 95384544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).