(3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one

C17H25NO2 — CID 101198190

IUPAC(3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one
SMILESCCCC[C@@H]1C(=O)ON(Cc2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C17H25NO2/c1-4-5-11-15-16(13(2)3)18(20-17(15)19)12-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyFXJRWORYKUHINK-JKSUJKDBSA-N
MW275.39 g/mol
LogP3.79
Rot. Bonds6

About (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one

(3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one (PubChem CID 101198190) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one
PubChem CID101198190
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one
SMILESCCCC[C@@H]1C(=O)ON(Cc2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C17H25NO2/c1-4-5-11-15-16(13(2)3)18(20-17(15)19)12-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyFXJRWORYKUHINK-JKSUJKDBSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one?
The IUPAC name of (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one (CID 101198190) is (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one.
What is the SMILES notation for (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one?
The canonical SMILES for (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one is CCCC[C@@H]1C(=O)ON(Cc2ccccc2)[C@@H]1C(C)C.
What is the InChIKey of (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one?
The InChIKey is FXJRWORYKUHINK-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-5-11-15-16(13(2)3)18(20-17(15)19)12-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one?
(3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one has a molecular weight of 275.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-benzyl-4-butyl-3-propan-2-yl-1,2-oxazolidin-5-one is sourced from PubChem (CID 101198190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).