(4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C26H33NO3 — CID 101184739

IUPAC(4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C2CC[C@@](C)(C(C)C)O2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33NO3/c1-18(2)23-26(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-24(28)27(23)22-16-17-25(5,29-22)19(3)4/h6-15,18-19,22-23H,16-17H2,1-5H3/t22?,23-,25-/m0/s1
InChIKeyMCCZSHRSSYHDNE-HPZMQGABSA-N
MW407.55 g/mol
LogP5.96
Rot. Bonds5

About (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101184739) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101184739
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name(4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C2CC[C@@](C)(C(C)C)O2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33NO3/c1-18(2)23-26(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-24(28)27(23)22-16-17-25(5,29-22)19(3)4/h6-15,18-19,22-23H,16-17H2,1-5H3/t22?,23-,25-/m0/s1
InChIKeyMCCZSHRSSYHDNE-HPZMQGABSA-N
XLogP5.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101184739) is (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(C2CC[C@@](C)(C(C)C)O2)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MCCZSHRSSYHDNE-HPZMQGABSA-N. The full InChI is InChI=1S/C26H33NO3/c1-18(2)23-26(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-24(28)27(23)22-16-17-25(5,29-22)19(3)4/h6-15,18-19,22-23H,16-17H2,1-5H3/t22?,23-,25-/m0/s1.
What are the key properties of (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 407.55 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(5S)-5-methyl-5-propan-2-yloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101184739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).