benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

C15H19NO4 — CID 20816219

IUPACbenzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OCC(CC=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2)16(13(8-9-17)11-20-15)14(18)19-10-12-6-4-3-5-7-12/h3-7,9,13H,8,10-11H2,1-2H3
InChIKeyVBWWSQYCPSBBIL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.35
Rot. Bonds4

About benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 20816219) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID20816219
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebenzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OCC(CC=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2)16(13(8-9-17)11-20-15)14(18)19-10-12-6-4-3-5-7-12/h3-7,9,13H,8,10-11H2,1-2H3
InChIKeyVBWWSQYCPSBBIL-UHFFFAOYSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (CID 20816219) is benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is CC1(C)OCC(CC=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is VBWWSQYCPSBBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2)16(13(8-9-17)11-20-15)14(18)19-10-12-6-4-3-5-7-12/h3-7,9,13H,8,10-11H2,1-2H3.
What are the key properties of benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 20816219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).