3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one

C30H31NO3 — CID 11363001

IUPAC3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one
SMILESO=C(C[C@@H](c1ccccc1)C1CCCCC1)N1C(=O)OCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NO3/c32-28(21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24)31-29(33)34-22-30(31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3-6,9-14,17-20,24,27H,2,7-8,15-16,21-22H2/t27-/m0/s1
InChIKeyPOZRREIPOCILCS-MHZLTWQESA-N
MW453.58 g/mol
LogP6.66
Rot. Bonds6

About 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one

3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one (PubChem CID 11363001) has the molecular formula C30H31NO3 and a molecular weight of 453.58 g/mol. Its IUPAC name is 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one
PubChem CID11363001
Molecular FormulaC30H31NO3
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC Name3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one
SMILESO=C(C[C@@H](c1ccccc1)C1CCCCC1)N1C(=O)OCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NO3/c32-28(21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24)31-29(33)34-22-30(31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3-6,9-14,17-20,24,27H,2,7-8,15-16,21-22H2/t27-/m0/s1
InChIKeyPOZRREIPOCILCS-MHZLTWQESA-N
XLogP6.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one (CID 11363001) is 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one is O=C(C[C@@H](c1ccccc1)C1CCCCC1)N1C(=O)OCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is POZRREIPOCILCS-MHZLTWQESA-N. The full InChI is InChI=1S/C30H31NO3/c32-28(21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24)31-29(33)34-22-30(31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3-6,9-14,17-20,24,27H,2,7-8,15-16,21-22H2/t27-/m0/s1.
What are the key properties of 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one?
3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 453.58 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-cyclohexyl-3-phenylpropanoyl]-4,4-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11363001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).