(4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C25H22N2O3 — CID 101164325

IUPAC(4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H22N2O3/c28-24-23(27-21(17-30-25(27)29)19-12-6-2-7-13-19)22(20-14-8-3-9-15-20)26(24)16-18-10-4-1-5-11-18/h1-15,21-23H,16-17H2/t21-,22-,23+/m1/s1
InChIKeyBRXFVIIGVMOORL-ZLNRFVROSA-N
MW398.46 g/mol
LogP4.33
Rot. Bonds5

About (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101164325) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101164325
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name(4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H22N2O3/c28-24-23(27-21(17-30-25(27)29)19-12-6-2-7-13-19)22(20-14-8-3-9-15-20)26(24)16-18-10-4-1-5-11-18/h1-15,21-23H,16-17H2/t21-,22-,23+/m1/s1
InChIKeyBRXFVIIGVMOORL-ZLNRFVROSA-N
XLogP4.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 101164325) is (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BRXFVIIGVMOORL-ZLNRFVROSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-24-23(27-21(17-30-25(27)29)19-12-6-2-7-13-19)22(20-14-8-3-9-15-20)26(24)16-18-10-4-1-5-11-18/h1-15,21-23H,16-17H2/t21-,22-,23+/m1/s1.
What are the key properties of (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 398.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101164325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).