benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate

C28H28N2O5 — CID 141155512

IUPACbenzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
SMILESO=C(OCc1ccccc1)N(CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O5/c31-26(30-25(21-35-28(30)33)18-22-10-4-1-5-11-22)16-17-29(19-23-12-6-2-7-13-23)27(32)34-20-24-14-8-3-9-15-24/h1-15,25H,16-21H2/t25-/m0/s1
InChIKeyJVFATKQNMDCNAW-VWLOTQADSA-N
MW472.54 g/mol
LogP4.81
Rot. Bonds9

About benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate

benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate (PubChem CID 141155512) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
PubChem CID141155512
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Namebenzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
SMILESO=C(OCc1ccccc1)N(CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O5/c31-26(30-25(21-35-28(30)33)18-22-10-4-1-5-11-22)16-17-29(19-23-12-6-2-7-13-23)27(32)34-20-24-14-8-3-9-15-24/h1-15,25H,16-21H2/t25-/m0/s1
InChIKeyJVFATKQNMDCNAW-VWLOTQADSA-N
XLogP4.81
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
CID 10764752
4-benzyl-3-(2-cyclopentyloxyacetyl)-1,3-oxazolidin-2-one
CID 175591418
4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
CID 19797155
(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
CID 102401586
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate (CID 141155512) is benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate is O=C(OCc1ccccc1)N(CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The InChIKey is JVFATKQNMDCNAW-VWLOTQADSA-N. The full InChI is InChI=1S/C28H28N2O5/c31-26(30-25(21-35-28(30)33)18-22-10-4-1-5-11-22)16-17-29(19-23-12-6-2-7-13-23)27(32)34-20-24-14-8-3-9-15-24/h1-15,25H,16-21H2/t25-/m0/s1.
What are the key properties of benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate has a molecular weight of 472.54 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 141155512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).