4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid

C23H18FNO4 — CID 66989753

IUPAC4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(c2ccccc2)OC(=O)C1(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H18FNO4/c24-19-13-11-16(12-14-19)15-23(18-9-5-2-6-10-18)21(26)29-20(25(23)22(27)28)17-7-3-1-4-8-17/h1-14,20H,15H2,(H,27,28)
InChIKeyRLTFPTAUOABHKE-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.50
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid

4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 66989753) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID66989753
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(c2ccccc2)OC(=O)C1(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H18FNO4/c24-19-13-11-16(12-14-19)15-23(18-9-5-2-6-10-18)21(26)29-20(25(23)22(27)28)17-7-3-1-4-8-17/h1-14,20H,15H2,(H,27,28)
InChIKeyRLTFPTAUOABHKE-UHFFFAOYSA-N
XLogP4.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid (CID 66989753) is 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(c2ccccc2)OC(=O)C1(Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is RLTFPTAUOABHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4/c24-19-13-11-16(12-14-19)15-23(18-9-5-2-6-10-18)21(26)29-20(25(23)22(27)28)17-7-3-1-4-8-17/h1-14,20H,15H2,(H,27,28).
What are the key properties of 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid?
4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 391.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 66989753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).