2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid

C21H25NO5 — CID 151863541

IUPAC2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(C2OC(C(=O)O)C(c3ccccc3)N2OC(C)(C)C)cc1
InChIInChI=1S/C21H25NO5/c1-21(2,3)27-22-17(14-8-6-5-7-9-14)18(20(23)24)26-19(22)15-10-12-16(25-4)13-11-15/h5-13,17-19H,1-4H3,(H,23,24)
InChIKeySLEWGJRNLNGDLR-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid

2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 151863541) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
PubChem CID151863541
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(C2OC(C(=O)O)C(c3ccccc3)N2OC(C)(C)C)cc1
InChIInChI=1S/C21H25NO5/c1-21(2,3)27-22-17(14-8-6-5-7-9-14)18(20(23)24)26-19(22)15-10-12-16(25-4)13-11-15/h5-13,17-19H,1-4H3,(H,23,24)
InChIKeySLEWGJRNLNGDLR-UHFFFAOYSA-N
XLogP3.95
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CID 151863541) is 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid is COc1ccc(C2OC(C(=O)O)C(c3ccccc3)N2OC(C)(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is SLEWGJRNLNGDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(2,3)27-22-17(14-8-6-5-7-9-14)18(20(23)24)26-19(22)15-10-12-16(25-4)13-11-15/h5-13,17-19H,1-4H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 371.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 151863541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).