2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid

C26H25NO7 — CID 22389495

IUPAC2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(C2OC(C(=O)O)C(c3ccccc3)N2C(=O)OCc2ccccc2)c(OC)c1
InChIInChI=1S/C26H25NO7/c1-31-19-13-14-20(21(15-19)32-2)24-27(26(30)33-16-17-9-5-3-6-10-17)22(23(34-24)25(28)29)18-11-7-4-8-12-18/h3-15,22-24H,16H2,1-2H3,(H,28,29)
InChIKeyMQRQZTNTGXURKD-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.57
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid

2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 22389495) has the molecular formula C26H25NO7 and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid
PubChem CID22389495
Molecular FormulaC26H25NO7
Molecular Weight463.49 g/mol
Exact Mass463.16
IUPAC Name2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(C2OC(C(=O)O)C(c3ccccc3)N2C(=O)OCc2ccccc2)c(OC)c1
InChIInChI=1S/C26H25NO7/c1-31-19-13-14-20(21(15-19)32-2)24-27(26(30)33-16-17-9-5-3-6-10-17)22(23(34-24)25(28)29)18-11-7-4-8-12-18/h3-15,22-24H,16H2,1-2H3,(H,28,29)
InChIKeyMQRQZTNTGXURKD-UHFFFAOYSA-N
XLogP4.57
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid (CID 22389495) is 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid is COc1ccc(C2OC(C(=O)O)C(c3ccccc3)N2C(=O)OCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is MQRQZTNTGXURKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO7/c1-31-19-13-14-20(21(15-19)32-2)24-27(26(30)33-16-17-9-5-3-6-10-17)22(23(34-24)25(28)29)18-11-7-4-8-12-18/h3-15,22-24H,16H2,1-2H3,(H,28,29).
What are the key properties of 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid?
2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 463.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4-phenyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 22389495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).