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

C17H17NO4 — CID 54321524

IUPAC2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(C2NC(c3ccccc3)C(C(=O)O)O2)cc1
InChIInChI=1S/C17H17NO4/c1-21-13-9-7-12(8-10-13)16-18-14(15(22-16)17(19)20)11-5-3-2-4-6-11/h2-10,14-16,18H,1H3,(H,19,20)
InChIKeySSAGHHNKBMQPHH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.51
Rot. Bonds4

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

2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 54321524) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
PubChem CID54321524
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(C2NC(c3ccccc3)C(C(=O)O)O2)cc1
InChIInChI=1S/C17H17NO4/c1-21-13-9-7-12(8-10-13)16-18-14(15(22-16)17(19)20)11-5-3-2-4-6-11/h2-10,14-16,18H,1H3,(H,19,20)
InChIKeySSAGHHNKBMQPHH-UHFFFAOYSA-N
XLogP2.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CID 54321524) is 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid is COc1ccc(C2NC(c3ccccc3)C(C(=O)O)O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is SSAGHHNKBMQPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-13-9-7-12(8-10-13)16-18-14(15(22-16)17(19)20)11-5-3-2-4-6-11/h2-10,14-16,18H,1H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid?
2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 54321524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).