(4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one

C22H33NO3 — CID 11233697

IUPAC(4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C22H33NO3/c1-5-9-16(2)12-17(3)13-18(4)14-21(24)23-20(15-26-22(23)25)19-10-7-6-8-11-19/h6-8,10-11,16-18,20H,5,9,12-15H2,1-4H3/t16-,17-,18-,20-/m0/s1
InChIKeyQUQNWAVFNQDTPV-JPLJXNOCSA-N
MW359.51 g/mol
LogP5.59
Rot. Bonds9

About (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one

(4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one (PubChem CID 11233697) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one
PubChem CID11233697
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name(4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C22H33NO3/c1-5-9-16(2)12-17(3)13-18(4)14-21(24)23-20(15-26-22(23)25)19-10-7-6-8-11-19/h6-8,10-11,16-18,20H,5,9,12-15H2,1-4H3/t16-,17-,18-,20-/m0/s1
InChIKeyQUQNWAVFNQDTPV-JPLJXNOCSA-N
XLogP5.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one (CID 11233697) is (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one is CCC[C@H](C)C[C@H](C)C[C@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QUQNWAVFNQDTPV-JPLJXNOCSA-N. The full InChI is InChI=1S/C22H33NO3/c1-5-9-16(2)12-17(3)13-18(4)14-21(24)23-20(15-26-22(23)25)19-10-7-6-8-11-19/h6-8,10-11,16-18,20H,5,9,12-15H2,1-4H3/t16-,17-,18-,20-/m0/s1.
What are the key properties of (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one?
(4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one has a molecular weight of 359.51 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-[(3S,5S,7S)-3,5,7-trimethyldecanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11233697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).