methyl 3-phenyl-1,2-oxazolidine-5-carboxylate

C11H13NO3 — CID 11074579

IUPACmethyl 3-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CC(c2ccccc2)NO1
InChIInChI=1S/C11H13NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3
InChIKeyPTRWXTWSFFQGDH-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.19
Rot. Bonds2

About methyl 3-phenyl-1,2-oxazolidine-5-carboxylate

methyl 3-phenyl-1,2-oxazolidine-5-carboxylate (PubChem CID 11074579) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 3-phenyl-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-1,2-oxazolidine-5-carboxylate
PubChem CID11074579
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 3-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CC(c2ccccc2)NO1
InChIInChI=1S/C11H13NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3
InChIKeyPTRWXTWSFFQGDH-UHFFFAOYSA-N
XLogP1.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl 3-phenyl-1,2-oxazolidine-5-carboxylate (CID 11074579) is methyl 3-phenyl-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl 3-phenyl-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl 3-phenyl-1,2-oxazolidine-5-carboxylate is COC(=O)C1CC(c2ccccc2)NO1.
What is the InChIKey of methyl 3-phenyl-1,2-oxazolidine-5-carboxylate?
The InChIKey is PTRWXTWSFFQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3.
What are the key properties of methyl 3-phenyl-1,2-oxazolidine-5-carboxylate?
methyl 3-phenyl-1,2-oxazolidine-5-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 11074579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).