benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate

C32H29NO5 — CID 18658183

IUPACbenzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
SMILESO=C(CC(Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H29NO5/c34-30(37-21-24-12-5-2-6-13-24)20-27(19-26-16-9-15-25-14-7-8-17-29(25)26)31(35)33-28(22-38-32(33)36)18-23-10-3-1-4-11-23/h1-17,27-28H,18-22H2/t27?,28-/m0/s1
InChIKeyMYEVBOSHAFFQMX-CPRJBALCSA-N
MW507.59 g/mol
LogP5.72
Rot. Bonds9

About benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate

benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate (PubChem CID 18658183) has the molecular formula C32H29NO5 and a molecular weight of 507.59 g/mol. Its IUPAC name is benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate.

Molecular Properties

Compound Namebenzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
PubChem CID18658183
Molecular FormulaC32H29NO5
Molecular Weight507.59 g/mol
Exact Mass507.20
IUPAC Namebenzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
SMILESO=C(CC(Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H29NO5/c34-30(37-21-24-12-5-2-6-13-24)20-27(19-26-16-9-15-25-14-7-8-17-29(25)26)31(35)33-28(22-38-32(33)36)18-23-10-3-1-4-11-23/h1-17,27-28H,18-22H2/t27?,28-/m0/s1
InChIKeyMYEVBOSHAFFQMX-CPRJBALCSA-N
XLogP5.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate with MolForge

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Related Compounds

benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 70043070
benzyl (3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 18658173
3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
CID 22397352
benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
CID 10764752
butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 142061099
tert-butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 59061299
benzyl (2S,3S)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-2-methyl-5-phenylpentanoate
CID 10323107
tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(3-methoxyphenyl)methyl]-4-oxobutanoate
CID 51355179
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
tert-butyl (3R)-3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)heptanoate
CID 54302293
tert-butyl 3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-6-phenylmethoxyhexanoate;2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylmethoxypentanoic acid
CID 161389702

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The IUPAC name of benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate (CID 18658183) is benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate.
What is the SMILES notation for benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The canonical SMILES for benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate is O=C(CC(Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The InChIKey is MYEVBOSHAFFQMX-CPRJBALCSA-N. The full InChI is InChI=1S/C32H29NO5/c34-30(37-21-24-12-5-2-6-13-24)20-27(19-26-16-9-15-25-14-7-8-17-29(25)26)31(35)33-28(22-38-32(33)36)18-23-10-3-1-4-11-23/h1-17,27-28H,18-22H2/t27?,28-/m0/s1.
What are the key properties of benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate?
benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate has a molecular weight of 507.59 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate is sourced from PubChem (CID 18658183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).