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

C16H16FNO — CID 10796683

IUPAC(2S,4S,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-/m0/s1
InChIKeyOJPFEHYUYKODBF-UVBJJODRSA-N
MW257.31 g/mol
LogP3.57
Rot. Bonds2

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

(2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine (PubChem CID 10796683) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
PubChem CID10796683
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(2S,4S,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-/m0/s1
InChIKeyOJPFEHYUYKODBF-UVBJJODRSA-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

2-(furan-3-yl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 578967
4-methyl-5-phenyl-2-pyridin-3-yl-1,3-oxazolidine
CID 584280
(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 130754154
(2S,4S,5R)-4-methyl-5-phenyl-2-[4-(2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl)phenyl]-1,3-oxazolidine
CID 10498616
2-(4-fluorophenyl)-3-methylaziridine
CID 71437972
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
3-phenyloxaziridine
CID 18523120
(3S)-3-phenyloxaziridine
CID 143593965
(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol
CID 132564473

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine (CID 10796683) is (2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S,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 (2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine?
The InChIKey is OJPFEHYUYKODBF-UVBJJODRSA-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-/m0/s1.
What are the key properties of (2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine?
(2S,4S,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 (2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 10796683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).