3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione

C16H15BrFNO4 — CID 57234457

IUPAC3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione
SMILESC=CCOc1cc(N2C(=O)OC(=CC(C)C)C2=O)c(F)cc1Br
InChIInChI=1S/C16H15BrFNO4/c1-4-5-22-13-8-12(11(18)7-10(13)17)19-15(20)14(6-9(2)3)23-16(19)21/h4,6-9H,1,5H2,2-3H3
InChIKeyJNTMQUVKAAGFGH-UHFFFAOYSA-N
MW384.20 g/mol
LogP4.18
Rot. Bonds5

About 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione

3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione (PubChem CID 57234457) has the molecular formula C16H15BrFNO4 and a molecular weight of 384.20 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione
PubChem CID57234457
Molecular FormulaC16H15BrFNO4
Molecular Weight384.20 g/mol
Exact Mass383.02
IUPAC Name3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione
SMILESC=CCOc1cc(N2C(=O)OC(=CC(C)C)C2=O)c(F)cc1Br
InChIInChI=1S/C16H15BrFNO4/c1-4-5-22-13-8-12(11(18)7-10(13)17)19-15(20)14(6-9(2)3)23-16(19)21/h4,6-9H,1,5H2,2-3H3
InChIKeyJNTMQUVKAAGFGH-UHFFFAOYSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione 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 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione (CID 57234457) is 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione is C=CCOc1cc(N2C(=O)OC(=CC(C)C)C2=O)c(F)cc1Br.
What is the InChIKey of 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione?
The InChIKey is JNTMQUVKAAGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO4/c1-4-5-22-13-8-12(11(18)7-10(13)17)19-15(20)14(6-9(2)3)23-16(19)21/h4,6-9H,1,5H2,2-3H3.
What are the key properties of 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione?
3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione has a molecular weight of 384.20 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoro-5-prop-2-enoxyphenyl)-5-(2-methylpropylidene)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 57234457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).