(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one

C18H23NO5 — CID 101030324

IUPAC(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C18H23NO5/c1-12(16-8-7-15(10-20)24-16)17(21)19-14(11-23-18(19)22)9-13-5-3-2-4-6-13/h2-6,12,14-16,20H,7-11H2,1H3/t12-,14+,15-,16-/m0/s1
InChIKeyVTEYXQNTDPTQLX-UKMLZYKCSA-N
MW333.38 g/mol
LogP1.75
Rot. Bonds5

About (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 101030324) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID101030324
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C18H23NO5/c1-12(16-8-7-15(10-20)24-16)17(21)19-14(11-23-18(19)22)9-13-5-3-2-4-6-13/h2-6,12,14-16,20H,7-11H2,1H3/t12-,14+,15-,16-/m0/s1
InChIKeyVTEYXQNTDPTQLX-UKMLZYKCSA-N
XLogP1.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one (CID 101030324) is (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one is C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H]1CC[C@@H](CO)O1.
What is the InChIKey of (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VTEYXQNTDPTQLX-UKMLZYKCSA-N. The full InChI is InChI=1S/C18H23NO5/c1-12(16-8-7-15(10-20)24-16)17(21)19-14(11-23-18(19)22)9-13-5-3-2-4-6-13/h2-6,12,14-16,20H,7-11H2,1H3/t12-,14+,15-,16-/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 333.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101030324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).