tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate

C24H27NO5 — CID 10597644

IUPACtert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate
SMILESCC(C)(C)OC(=O)C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO5/c1-24(2,3)30-21(26)15-20(18-12-8-5-9-13-18)22(27)25-19(16-29-23(25)28)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3/t19-,20-/m0/s1
InChIKeyYSNFMQHWXFMKTM-PMACEKPBSA-N
MW409.48 g/mol
LogP4.09
Rot. Bonds6

About tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate

tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate (PubChem CID 10597644) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate.

Molecular Properties

Compound Nametert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate
PubChem CID10597644
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Nametert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate
SMILESCC(C)(C)OC(=O)C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO5/c1-24(2,3)30-21(26)15-20(18-12-8-5-9-13-18)22(27)25-19(16-29-23(25)28)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3/t19-,20-/m0/s1
InChIKeyYSNFMQHWXFMKTM-PMACEKPBSA-N
XLogP4.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate?
The IUPAC name of tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate (CID 10597644) is tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate.
What is the SMILES notation for tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate?
The canonical SMILES for tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate is CC(C)(C)OC(=O)C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate?
The InChIKey is YSNFMQHWXFMKTM-PMACEKPBSA-N. The full InChI is InChI=1S/C24H27NO5/c1-24(2,3)30-21(26)15-20(18-12-8-5-9-13-18)22(27)25-19(16-29-23(25)28)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate?
tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate has a molecular weight of 409.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-phenylbutanoate is sourced from PubChem (CID 10597644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).