(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine

C19H23NO — CID 125473975

IUPAC(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
SMILESCCCC[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C19H23NO/c1-2-3-14-18-15-19(16-10-6-4-7-11-16)20(21-18)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19+/m0/s1
InChIKeyTWLPZOZOGASMPP-RBUKOAKNSA-N
MW281.40 g/mol
LogP5.13
Rot. Bonds5

About (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine

(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine (PubChem CID 125473975) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
PubChem CID125473975
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
SMILESCCCC[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C19H23NO/c1-2-3-14-18-15-19(16-10-6-4-7-11-16)20(21-18)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19+/m0/s1
InChIKeyTWLPZOZOGASMPP-RBUKOAKNSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237
(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
CID 11034663
(3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine
CID 40522680
(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine
CID 134938194
[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
CID 11381971
(2R,3aR,5S)-2-butyl-7,7-dimethyl-5-phenyl-3,3a,5,6-tetrahydro-2H-[1,2]oxazolo[3,2-b][1,3]oxazine
CID 10989878
2-butyl-4-chloro-6-phenyloxane
CID 101188329
(3R,5R)-5-butyl-3-phenyloxolan-2-one
CID 14968658
4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 2768898
(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine
CID 11558094
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine (CID 125473975) is (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine is CCCC[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1.
What is the InChIKey of (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine?
The InChIKey is TWLPZOZOGASMPP-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-3-14-18-15-19(16-10-6-4-7-11-16)20(21-18)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine?
(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine has a molecular weight of 281.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine is sourced from PubChem (CID 125473975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).