(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine

C16H16FNO — CID 10848744

IUPAC(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1N[C@@H](c2ccc(F)cc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C16H16FNO/c1-11-15(12-5-3-2-4-6-12)19-16(18-11)13-7-9-14(17)10-8-13/h2-11,15-16,18H,1H3/t11-,15+,16-/m1/s1
InChIKeyOJPFEHYUYKODBF-XFBWCDHKSA-N
MW257.31 g/mol
LogP3.57
Rot. Bonds2

About (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine

(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine (PubChem CID 10848744) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
PubChem CID10848744
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1N[C@@H](c2ccc(F)cc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C16H16FNO/c1-11-15(12-5-3-2-4-6-12)19-16(18-11)13-7-9-14(17)10-8-13/h2-11,15-16,18H,1H3/t11-,15+,16-/m1/s1
InChIKeyOJPFEHYUYKODBF-XFBWCDHKSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
2-(3-Fluorophenyl)-3-methylmorpholine
CID 54673723
3-Benzyloxy-2-phenyl-piperidine
CID 44331794
1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
((S)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-pyrrolidin-2-ylmethyl)-(3-phenyl-propyl)-amine
CID 10600218
Jdh4VT5tsv
CID 11568372
(2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493766
(2R)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493768
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine (CID 10848744) is (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine is C[C@H]1N[C@@H](c2ccc(F)cc2)O[C@@H]1c1ccccc1.
What is the InChIKey of (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine?
The InChIKey is OJPFEHYUYKODBF-XFBWCDHKSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-15(12-5-3-2-4-6-12)19-16(18-11)13-7-9-14(17)10-8-13/h2-11,15-16,18H,1H3/t11-,15+,16-/m1/s1.
What are the key properties of (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine?
(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine has a molecular weight of 257.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 10848744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).