methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate

C13H17NO4 — CID 59171176

IUPACmethyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1(OC)CC(c2ccc(C)cc2)NO1
InChIInChI=1S/C13H17NO4/c1-9-4-6-10(7-5-9)11-8-13(17-3,18-14-11)12(15)16-2/h4-7,11,14H,8H2,1-3H3
InChIKeyYUOGITLSDUMLJG-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.48
Rot. Bonds3

About methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate

methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate (PubChem CID 59171176) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate
PubChem CID59171176
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1(OC)CC(c2ccc(C)cc2)NO1
InChIInChI=1S/C13H17NO4/c1-9-4-6-10(7-5-9)11-8-13(17-3,18-14-11)12(15)16-2/h4-7,11,14H,8H2,1-3H3
InChIKeyYUOGITLSDUMLJG-UHFFFAOYSA-N
XLogP1.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate (CID 59171176) is methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate is COC(=O)C1(OC)CC(c2ccc(C)cc2)NO1.
What is the InChIKey of methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate?
The InChIKey is YUOGITLSDUMLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-4-6-10(7-5-9)11-8-13(17-3,18-14-11)12(15)16-2/h4-7,11,14H,8H2,1-3H3.
What are the key properties of methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate?
methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-3-(4-methylphenyl)-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 59171176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).