benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate

C17H12FNO5 — CID 11438888

IUPACbenzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESO=C1OC(=O)N(C(=O)OCc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H12FNO5/c18-13-8-6-12(7-9-13)14-15(20)24-17(22)19(14)16(21)23-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyDIFIMNULTXVFOO-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.18
Rot. Bonds3

About benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate

benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate (PubChem CID 11438888) has the molecular formula C17H12FNO5 and a molecular weight of 329.28 g/mol. Its IUPAC name is benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate
PubChem CID11438888
Molecular FormulaC17H12FNO5
Molecular Weight329.28 g/mol
Exact Mass329.07
IUPAC Namebenzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESO=C1OC(=O)N(C(=O)OCc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H12FNO5/c18-13-8-6-12(7-9-13)14-15(20)24-17(22)19(14)16(21)23-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyDIFIMNULTXVFOO-UHFFFAOYSA-N
XLogP3.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate (CID 11438888) is benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate is O=C1OC(=O)N(C(=O)OCc2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is DIFIMNULTXVFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO5/c18-13-8-6-12(7-9-13)14-15(20)24-17(22)19(14)16(21)23-10-11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 329.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-fluorophenyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11438888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).