2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine

C16H16FNO2 — CID 44521137

IUPAC2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine
SMILESCOc1ccc(C2ON2CCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-19-15-8-4-13(5-9-15)16-18(20-16)11-10-12-2-6-14(17)7-3-12/h2-9,16H,10-11H2,1H3
InChIKeyNZKFOQUEKYFEQY-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine

2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine (PubChem CID 44521137) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine
PubChem CID44521137
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine
SMILESCOc1ccc(C2ON2CCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-19-15-8-4-13(5-9-15)16-18(20-16)11-10-12-2-6-14(17)7-3-12/h2-9,16H,10-11H2,1H3
InChIKeyNZKFOQUEKYFEQY-UHFFFAOYSA-N
XLogP3.32
TPSA24.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-2-propyloxaziridine
CID 22034391
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027
(2S,5R)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)oxolane
CID 11807821
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7584153
2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one
CID 13095133
1-[2-(4-fluorophenyl)ethyl]-5-[2-[(4-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45185202
(4Z)-1-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108694995

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine (CID 44521137) is 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine is COc1ccc(C2ON2CCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine?
The InChIKey is NZKFOQUEKYFEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-19-15-8-4-13(5-9-15)16-18(20-16)11-10-12-2-6-14(17)7-3-12/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine?
2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine has a molecular weight of 273.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)oxaziridine is sourced from PubChem (CID 44521137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).