benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate

C25H27N3O4 — CID 15547897

IUPACbenzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESO=C1N[C@@H](Cc2ccc3[nH]cc(C[C@H]4CCCN4C(=O)OCc4ccccc4)c3c2)CO1
InChIInChI=1S/C25H27N3O4/c29-24-27-20(16-31-24)11-18-8-9-23-22(12-18)19(14-26-23)13-21-7-4-10-28(21)25(30)32-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,12,14,20-21,26H,4,7,10-11,13,15-16H2,(H,27,29)/t20-,21+/m0/s1
InChIKeyYOUVZHYBQAZHNW-LEWJYISDSA-N
MW433.51 g/mol
LogP4.16
Rot. Bonds6

About benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 15547897) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID15547897
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Namebenzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESO=C1N[C@@H](Cc2ccc3[nH]cc(C[C@H]4CCCN4C(=O)OCc4ccccc4)c3c2)CO1
InChIInChI=1S/C25H27N3O4/c29-24-27-20(16-31-24)11-18-8-9-23-22(12-18)19(14-26-23)13-21-7-4-10-28(21)25(30)32-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,12,14,20-21,26H,4,7,10-11,13,15-16H2,(H,27,29)/t20-,21+/m0/s1
InChIKeyYOUVZHYBQAZHNW-LEWJYISDSA-N
XLogP4.16
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;5-methoxy-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 157165509
benzyl (2R)-2-[[5-(3-hydroxy-3-methylpent-1-enyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 54564357
benzyl (2R)-2-[[5-[(E)-3-hydroxy-3,4-dimethylpent-1-enyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 22870274
benzyl (2R)-2-[[7-bromo-5-(methylsulfamoylmethyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 11038630
4-[[3-[2-[(3S)-3-[(benzylamino)methyl]pyrrolidin-1-yl]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 70104584
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951
(4S)-4-[[3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 59719933
but-2-enedioic acid;4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 70195986
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
N,N-dimethyl-2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]ethanamine oxide
CID 25241756
benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 54543425
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate (CID 15547897) is benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate is O=C1N[C@@H](Cc2ccc3[nH]cc(C[C@H]4CCCN4C(=O)OCc4ccccc4)c3c2)CO1.
What is the InChIKey of benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is YOUVZHYBQAZHNW-LEWJYISDSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-24-27-20(16-31-24)11-18-8-9-23-22(12-18)19(14-26-23)13-21-7-4-10-28(21)25(30)32-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,12,14,20-21,26H,4,7,10-11,13,15-16H2,(H,27,29)/t20-,21+/m0/s1.
What are the key properties of benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 15547897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).