(4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one

C17H21NO4 — CID 11483510

IUPAC(4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C17H21NO4/c1-11(2)15(19)12(3)16(20)18-14(10-22-17(18)21)9-13-7-5-4-6-8-13/h4-8,12,14-15,19H,1,9-10H2,2-3H3/t12-,14-,15+/m1/s1
InChIKeyNZNQVFXLNMUYFI-YUELXQCFSA-N
MW303.36 g/mol
LogP2.15
Rot. Bonds5

About (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11483510) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID11483510
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C17H21NO4/c1-11(2)15(19)12(3)16(20)18-14(10-22-17(18)21)9-13-7-5-4-6-8-13/h4-8,12,14-15,19H,1,9-10H2,2-3H3/t12-,14-,15+/m1/s1
InChIKeyNZNQVFXLNMUYFI-YUELXQCFSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44269596
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
7-[(2R)-2-[(E,3R)-3-hydroxy-4-methyl-7-phenylhept-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 90454897
(4R)-4-benzyl-3-[(2R,3R,4S,6S)-3,7-dihydroxy-4-methoxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 137646396
(4R)-3-[(2R,3R,4S,6S)-7-azido-3,4-dimethoxy-2,6-dimethylheptanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 137658403
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone
CID 10966403
(4S)-4-[(E,1R)-1-hydroxyhexadec-2-enyl]-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 57392091
(4S)-4-[(E,1R)-1-hydroxyhexadec-2-enyl]-3-[(E)-4-phenylbut-3-enoyl]-1,3-oxazolidin-2-one
CID 57392092

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one (CID 11483510) is (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one is C=C(C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NZNQVFXLNMUYFI-YUELXQCFSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11(2)15(19)12(3)16(20)18-14(10-22-17(18)21)9-13-7-5-4-6-8-13/h4-8,12,14-15,19H,1,9-10H2,2-3H3/t12-,14-,15+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11483510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).