(2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one

C15H19NO3 — CID 101241718

IUPAC(2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one
SMILESCC(=O)C[C@@]1(C)O[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(17)9-15(3)16(14(18)12(2)19-15)10-13-7-5-4-6-8-13/h4-8,12H,9-10H2,1-3H3/t12-,15+/m0/s1
InChIKeyPYTDMZGSPKELTA-SWLSCSKDSA-N
MW261.32 g/mol
LogP2.13
Rot. Bonds4

About (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one

(2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one (PubChem CID 101241718) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one
PubChem CID101241718
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one
SMILESCC(=O)C[C@@]1(C)O[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(17)9-15(3)16(14(18)12(2)19-15)10-13-7-5-4-6-8-13/h4-8,12H,9-10H2,1-3H3/t12-,15+/m0/s1
InChIKeyPYTDMZGSPKELTA-SWLSCSKDSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
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(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one?
The IUPAC name of (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one (CID 101241718) is (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one.
What is the SMILES notation for (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one?
The canonical SMILES for (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one is CC(=O)C[C@@]1(C)O[C@@H](C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one?
The InChIKey is PYTDMZGSPKELTA-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)9-15(3)16(14(18)12(2)19-15)10-13-7-5-4-6-8-13/h4-8,12H,9-10H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one?
(2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 101241718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).