3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid

C21H23NO5 — CID 19043535

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)OC(C(=O)O)C1c1ccccc1
InChIInChI=1S/C21H23NO5/c1-21(2,3)27-20(25)22-16(14-10-6-4-7-11-14)17(19(23)24)26-18(22)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3,(H,23,24)
InChIKeyKLBMMNQENRBVRI-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.15
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 19043535) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
PubChem CID19043535
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)OC(C(=O)O)C1c1ccccc1
InChIInChI=1S/C21H23NO5/c1-21(2,3)27-20(25)22-16(14-10-6-4-7-11-14)17(19(23)24)26-18(22)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3,(H,23,24)
InChIKeyKLBMMNQENRBVRI-UHFFFAOYSA-N
XLogP4.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid (CID 19043535) is 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid is CC(C)(C)OC(=O)N1C(c2ccccc2)OC(C(=O)O)C1c1ccccc1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is KLBMMNQENRBVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-21(2,3)27-20(25)22-16(14-10-6-4-7-11-14)17(19(23)24)26-18(22)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3,(H,23,24).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 19043535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).