3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one

C16H18N2O5 — CID 71038648

IUPAC3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N[C@@H]1CC(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C16H18N2O5/c1-9(19)14-12(17-15(14)21)8-13(20)10-2-4-11(5-3-10)18-6-7-23-16(18)22/h2-5,9,12,14,19H,6-8H2,1H3,(H,17,21)/t9-,12-,14-/m1/s1
InChIKeyOZYVGYRZIXSDDE-GAJTVXKRSA-N
MW318.33 g/mol
LogP0.71
Rot. Bonds5

About 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 71038648) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID71038648
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N[C@@H]1CC(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C16H18N2O5/c1-9(19)14-12(17-15(14)21)8-13(20)10-2-4-11(5-3-10)18-6-7-23-16(18)22/h2-5,9,12,14,19H,6-8H2,1H3,(H,17,21)/t9-,12-,14-/m1/s1
InChIKeyOZYVGYRZIXSDDE-GAJTVXKRSA-N
XLogP0.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one (CID 71038648) is 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one is C[C@@H](O)[C@H]1C(=O)N[C@@H]1CC(=O)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OZYVGYRZIXSDDE-GAJTVXKRSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-9(19)14-12(17-15(14)21)8-13(20)10-2-4-11(5-3-10)18-6-7-23-16(18)22/h2-5,9,12,14,19H,6-8H2,1H3,(H,17,21)/t9-,12-,14-/m1/s1.
What are the key properties of 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 318.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71038648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).