(3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one

C16H23NO2 — CID 66805707

IUPAC(3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one
SMILESCC(C)C(C)[C@@H]1[C@@H](C)C(=O)ON1Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-11(2)12(3)15-13(4)16(18)19-17(15)10-14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3/t12?,13-,15-/m1/s1
InChIKeyKKTRTAYCFJVMSR-JYRZLJSNSA-N
MW261.36 g/mol
LogP3.26
Rot. Bonds4

About (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one

(3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one (PubChem CID 66805707) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one
PubChem CID66805707
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one
SMILESCC(C)C(C)[C@@H]1[C@@H](C)C(=O)ON1Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-11(2)12(3)15-13(4)16(18)19-17(15)10-14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3/t12?,13-,15-/m1/s1
InChIKeyKKTRTAYCFJVMSR-JYRZLJSNSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one?
The IUPAC name of (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one (CID 66805707) is (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one.
What is the SMILES notation for (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one?
The canonical SMILES for (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one is CC(C)C(C)[C@@H]1[C@@H](C)C(=O)ON1Cc1ccccc1.
What is the InChIKey of (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one?
The InChIKey is KKTRTAYCFJVMSR-JYRZLJSNSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)12(3)15-13(4)16(18)19-17(15)10-14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3/t12?,13-,15-/m1/s1.
What are the key properties of (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one?
(3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one has a molecular weight of 261.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-benzyl-4-methyl-3-(3-methylbutan-2-yl)-1,2-oxazolidin-5-one is sourced from PubChem (CID 66805707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).