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

C17H23NO4 — CID 56601029

IUPAC(4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one
SMILESCCC(CC)OCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H23NO4/c1-3-15(4-2)21-12-16(19)18-14(11-22-17(18)20)10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-/m0/s1
InChIKeyPRBRSJFEUYGAMR-AWEZNQCLSA-N
MW305.37 g/mol
LogP2.78
Rot. Bonds7

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

(4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one (PubChem CID 56601029) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one
PubChem CID56601029
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one
SMILESCCC(CC)OCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H23NO4/c1-3-15(4-2)21-12-16(19)18-14(11-22-17(18)20)10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-/m0/s1
InChIKeyPRBRSJFEUYGAMR-AWEZNQCLSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
5-Benzyl-3-methyl-1,3-oxazolidin-2-one
CID 3046888
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
Locostatin
CID 5702600
4-Benzyl-2,2-dimethyl-3-propionyl-1,3-oxazolidine
CID 11842087
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358
(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone
CID 10966403
N-(1(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanine N-carboxyanhydride
CID 9922512
[(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate
CID 11474746
[(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl octanoate
CID 44413324

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one (CID 56601029) is (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one is CCC(CC)OCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one?
The InChIKey is PRBRSJFEUYGAMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-15(4-2)21-12-16(19)18-14(11-22-17(18)20)10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one has a molecular weight of 305.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(2-pentan-3-yloxyacetyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 56601029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).