(4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one

C16H21NO3 — CID 10869526

IUPAC(4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-12(2)8-9-15(18)17-14(11-20-16(17)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyYYUTVRHBEQTSJS-AWEZNQCLSA-N
MW275.35 g/mol
LogP3.01
Rot. Bonds5

About (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one (PubChem CID 10869526) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
PubChem CID10869526
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-12(2)8-9-15(18)17-14(11-20-16(17)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyYYUTVRHBEQTSJS-AWEZNQCLSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-Dimethyl-2-oxo-butyryl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 44365151
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 9906857
1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 23555949
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
Locostatin
CID 5702600
methyl (2R,5R)-1-acetyl-5-benzyl-2-methyl-2H-pyrrole-5-carboxylate
CID 5459717
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one (CID 10869526) is (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one is CC(C)CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is YYUTVRHBEQTSJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(2)8-9-15(18)17-14(11-20-16(17)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10869526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).