(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride

C16H20ClNO5S — CID 87873148

IUPAC(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride
SMILESCCC(C)[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)S(=O)(=O)Cl
InChIInChI=1S/C16H20ClNO5S/c1-3-11(2)14(24(17,21)22)15(19)18-13(10-23-16(18)20)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11?,13-,14-/m1/s1
InChIKeyLJMWJRYXNWMNEG-HIDCPEKUSA-N
MW373.86 g/mol
LogP2.56
Rot. Bonds6

About (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride

(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride (PubChem CID 87873148) has the molecular formula C16H20ClNO5S and a molecular weight of 373.86 g/mol. Its IUPAC name is (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride.

Molecular Properties

Compound Name(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride
PubChem CID87873148
Molecular FormulaC16H20ClNO5S
Molecular Weight373.86 g/mol
Exact Mass373.08
IUPAC Name(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride
SMILESCCC(C)[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)S(=O)(=O)Cl
InChIInChI=1S/C16H20ClNO5S/c1-3-11(2)14(24(17,21)22)15(19)18-13(10-23-16(18)20)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11?,13-,14-/m1/s1
InChIKeyLJMWJRYXNWMNEG-HIDCPEKUSA-N
XLogP2.56
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-3-[(2S)-2-ethyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 175760920
(4S)-4-benzyl-3-(2-ethyl-3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 155316900
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 158224516
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346
(2R,4S,5R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-2,4-dimethylheptane-1,3-dione
CID 10991632
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
(4S)-4-benzyl-3-[(2S,3S)-2-chloro-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 10785479

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride?
The IUPAC name of (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride (CID 87873148) is (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride.
What is the SMILES notation for (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride?
The canonical SMILES for (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride is CCC(C)[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)S(=O)(=O)Cl.
What is the InChIKey of (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride?
The InChIKey is LJMWJRYXNWMNEG-HIDCPEKUSA-N. The full InChI is InChI=1S/C16H20ClNO5S/c1-3-11(2)14(24(17,21)22)15(19)18-13(10-23-16(18)20)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11?,13-,14-/m1/s1.
What are the key properties of (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride?
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride has a molecular weight of 373.86 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride is sourced from PubChem (CID 87873148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).