methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate

C16H20N2O5 — CID 23821465

IUPACmethyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CC(C(=O)N2CCOCC2)N(c2ccccc2)O1
InChIInChI=1S/C16H20N2O5/c1-21-16(20)14-11-13(15(19)17-7-9-22-10-8-17)18(23-14)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyFRRALXGZFGHSLZ-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.60
Rot. Bonds3

About methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate

methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate (PubChem CID 23821465) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate
PubChem CID23821465
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Namemethyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CC(C(=O)N2CCOCC2)N(c2ccccc2)O1
InChIInChI=1S/C16H20N2O5/c1-21-16(20)14-11-13(15(19)17-7-9-22-10-8-17)18(23-14)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyFRRALXGZFGHSLZ-UHFFFAOYSA-N
XLogP0.60
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate (CID 23821465) is methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate is COC(=O)C1CC(C(=O)N2CCOCC2)N(c2ccccc2)O1.
What is the InChIKey of methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate?
The InChIKey is FRRALXGZFGHSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-21-16(20)14-11-13(15(19)17-7-9-22-10-8-17)18(23-14)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate?
methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate has a molecular weight of 320.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 23821465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).