tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate

C24H26N2O5 — CID 14506171

IUPACtert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H26N2O5/c1-24(2,3)31-19(27)14-25-20(17-12-8-5-9-13-17)21(22(25)28)26-18(15-30-23(26)29)16-10-6-4-7-11-16/h4-13,18,20-21H,14-15H2,1-3H3/t18-,20-,21+/m1/s1
InChIKeyIZSZGNWVRRMKMI-NRSPTQNISA-N
MW422.48 g/mol
LogP3.47
Rot. Bonds5

About tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate

tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate (PubChem CID 14506171) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate
PubChem CID14506171
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Nametert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H26N2O5/c1-24(2,3)31-19(27)14-25-20(17-12-8-5-9-13-17)21(22(25)28)26-18(15-30-23(26)29)16-10-6-4-7-11-16/h4-13,18,20-21H,14-15H2,1-3H3/t18-,20-,21+/m1/s1
InChIKeyIZSZGNWVRRMKMI-NRSPTQNISA-N
XLogP3.47
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate 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 tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate (CID 14506171) is tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate is CC(C)(C)OC(=O)CN1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate?
The InChIKey is IZSZGNWVRRMKMI-NRSPTQNISA-N. The full InChI is InChI=1S/C24H26N2O5/c1-24(2,3)31-19(27)14-25-20(17-12-8-5-9-13-17)21(22(25)28)26-18(15-30-23(26)29)16-10-6-4-7-11-16/h4-13,18,20-21H,14-15H2,1-3H3/t18-,20-,21+/m1/s1.
What are the key properties of tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate?
tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate has a molecular weight of 422.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]acetate is sourced from PubChem (CID 14506171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).