(4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one

C32H39NO3 — CID 10767248

IUPAC(4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCC[C@@H]1OC(=O)N[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39NO3/c1-2-3-4-5-6-7-17-24-30-29(33-31(34)36-30)25-35-32(26-18-11-8-12-19-26,27-20-13-9-14-21-27)28-22-15-10-16-23-28/h8-16,18-23,29-30H,2-7,17,24-25H2,1H3,(H,33,34)/t29-,30-/m0/s1
InChIKeyRYBGNPXXEZAJKF-KYJUHHDHSA-N
MW485.67 g/mol
LogP7.61
Rot. Bonds14

About (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one

(4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 10767248) has the molecular formula C32H39NO3 and a molecular weight of 485.67 g/mol. Its IUPAC name is (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one
PubChem CID10767248
Molecular FormulaC32H39NO3
Molecular Weight485.67 g/mol
Exact Mass485.29
IUPAC Name(4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCC[C@@H]1OC(=O)N[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39NO3/c1-2-3-4-5-6-7-17-24-30-29(33-31(34)36-30)25-35-32(26-18-11-8-12-19-26,27-20-13-9-14-21-27)28-22-15-10-16-23-28/h8-16,18-23,29-30H,2-7,17,24-25H2,1H3,(H,33,34)/t29-,30-/m0/s1
InChIKeyRYBGNPXXEZAJKF-KYJUHHDHSA-N
XLogP7.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(S)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-ylmethyl]-(3-phenyl-propyl)-amine
CID 10693845
(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69081973
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
[(R)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-ylmethyl]-(3-phenyl-propyl)-amine
CID 10526569
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
5,5-Diphenyl-1,3-oxazolidin-2-one
CID 349675
N-[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-formamide
CID 21753663
(4-phenylphenyl)methyl N-cyclohexylcarbamate
CID 22978794
benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
CID 90679319

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one (CID 10767248) is (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one is CCCCCCCCC[C@@H]1OC(=O)N[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is RYBGNPXXEZAJKF-KYJUHHDHSA-N. The full InChI is InChI=1S/C32H39NO3/c1-2-3-4-5-6-7-17-24-30-29(33-31(34)36-30)25-35-32(26-18-11-8-12-19-26,27-20-13-9-14-21-27)28-22-15-10-16-23-28/h8-16,18-23,29-30H,2-7,17,24-25H2,1H3,(H,33,34)/t29-,30-/m0/s1.
What are the key properties of (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one?
(4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 485.67 g/mol, XLogP of 7.61, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-nonyl-4-(trityloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10767248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).