5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine

C17H18FNO — CID 150088659

IUPAC5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(N2COC(F)(Cc3ccccc3)C2)cc1
InChIInChI=1S/C17H18FNO/c1-14-7-9-16(10-8-14)19-12-17(18,20-13-19)11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyDSTLVQWMHGJHHM-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.70
Rot. Bonds3

About 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine

5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine (PubChem CID 150088659) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine
PubChem CID150088659
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(N2COC(F)(Cc3ccccc3)C2)cc1
InChIInChI=1S/C17H18FNO/c1-14-7-9-16(10-8-14)19-12-17(18,20-13-19)11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyDSTLVQWMHGJHHM-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine (CID 150088659) is 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine is Cc1ccc(N2COC(F)(Cc3ccccc3)C2)cc1.
What is the InChIKey of 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine?
The InChIKey is DSTLVQWMHGJHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-14-7-9-16(10-8-14)19-12-17(18,20-13-19)11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine?
5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine has a molecular weight of 271.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-fluoro-3-(4-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 150088659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).