(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C27H27NO3 — CID 10927791

IUPAC(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C(=O)CCc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NO3/c1-20(2)25-27(22-14-8-4-9-15-22,23-16-10-5-11-17-23)31-26(30)28(25)24(29)19-18-21-12-6-3-7-13-21/h3-17,20,25H,18-19H2,1-2H3/t25-/m0/s1
InChIKeyKUISJTACZISEAI-VWLOTQADSA-N
MW413.52 g/mol
LogP5.57
Rot. Bonds6

About (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10927791) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10927791
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C(=O)CCc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NO3/c1-20(2)25-27(22-14-8-4-9-15-22,23-16-10-5-11-17-23)31-26(30)28(25)24(29)19-18-21-12-6-3-7-13-21/h3-17,20,25H,18-19H2,1-2H3/t25-/m0/s1
InChIKeyKUISJTACZISEAI-VWLOTQADSA-N
XLogP5.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10927791) is (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(C(=O)CCc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KUISJTACZISEAI-VWLOTQADSA-N. The full InChI is InChI=1S/C27H27NO3/c1-20(2)25-27(22-14-8-4-9-15-22,23-16-10-5-11-17-23)31-26(30)28(25)24(29)19-18-21-12-6-3-7-13-21/h3-17,20,25H,18-19H2,1-2H3/t25-/m0/s1.
What are the key properties of (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 413.52 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10927791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).