3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine

C16H16FNO — CID 138756946

IUPAC3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine
SMILESFc1ccc(CN2COC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H16FNO/c17-15-8-6-13(7-9-15)10-18-11-16(19-12-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKeyCUJFCNNYIRFXDO-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.36
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine

3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine (PubChem CID 138756946) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine
PubChem CID138756946
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine
SMILESFc1ccc(CN2COC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H16FNO/c17-15-8-6-13(7-9-15)10-18-11-16(19-12-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKeyCUJFCNNYIRFXDO-UHFFFAOYSA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nefopam
CID 4450
3,4-Dimethyl-5-phenyl-1,3-oxazolidine
CID 434666
Pyrrolidine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-, hydrochloride
CID 3024524
Pyrrolidine, 1-(2-(1,1-bis(4-fluorophenyl)ethoxy)ethyl)-, hydrochloride
CID 3024531
(+)-Nefopam
CID 184147
(-)-Nefopam
CID 176540
4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-1,2,3,6-tetrahydro-pyridine
CID 11729096
3-Methyl-2-phenyl-1,3-oxazolidine
CID 98113
Amixetrine
CID 71911
1-(4-Fluoro-benzyl)-4-[2-(1-phenyl-ethoxy)-ethyl]-piperidine
CID 9924118
8-Benzyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]octane
CID 24810004
3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-fluoro-benzyl)-8-aza-bicyclo[3.2.1]octane
CID 44267764

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine (CID 138756946) is 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine is Fc1ccc(CN2COC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine?
The InChIKey is CUJFCNNYIRFXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-8-6-13(7-9-15)10-18-11-16(19-12-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine?
3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine has a molecular weight of 257.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 138756946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).