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

C15H19NO4 — CID 18009185

IUPAC4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CC=O)(Cc2ccccc2)N1C(=O)O
InChIInChI=1S/C15H19NO4/c1-14(2)16(13(18)19)15(8-9-17,11-20-14)10-12-6-4-3-5-7-12/h3-7,9H,8,10-11H2,1-2H3,(H,18,19)
InChIKeyDRFZMVXLESBDKC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.30
Rot. Bonds4

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

4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid (PubChem CID 18009185) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
PubChem CID18009185
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CC=O)(Cc2ccccc2)N1C(=O)O
InChIInChI=1S/C15H19NO4/c1-14(2)16(13(18)19)15(8-9-17,11-20-14)10-12-6-4-3-5-7-12/h3-7,9H,8,10-11H2,1-2H3,(H,18,19)
InChIKeyDRFZMVXLESBDKC-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid (CID 18009185) is 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid is CC1(C)OCC(CC=O)(Cc2ccccc2)N1C(=O)O.
What is the InChIKey of 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is DRFZMVXLESBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-14(2)16(13(18)19)15(8-9-17,11-20-14)10-12-6-4-3-5-7-12/h3-7,9H,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 18009185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).