2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid

C20H21NO5 — CID 15895455

IUPAC2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid
SMILESCC1(C)OC(C(=O)O)C(c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO5/c1-20(2)21(19(24)25-13-14-9-5-3-6-10-14)16(17(26-20)18(22)23)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3,(H,22,23)
InChIKeyQRCNXIMKDJYQPW-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.59
Rot. Bonds4

About 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid

2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 15895455) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid
PubChem CID15895455
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid
SMILESCC1(C)OC(C(=O)O)C(c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO5/c1-20(2)21(19(24)25-13-14-9-5-3-6-10-14)16(17(26-20)18(22)23)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3,(H,22,23)
InChIKeyQRCNXIMKDJYQPW-UHFFFAOYSA-N
XLogP3.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid (CID 15895455) is 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid is CC1(C)OC(C(=O)O)C(c2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is QRCNXIMKDJYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-20(2)21(19(24)25-13-14-9-5-3-6-10-14)16(17(26-20)18(22)23)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3,(H,22,23).
What are the key properties of 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid?
2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 15895455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).