benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate

C35H29NO4 — CID 10973421

IUPACbenzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate
SMILESO=C(OCc1ccccc1)[C@@H](Cc1cccc2ccccc12)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C35H29NO4/c37-34(39-24-25-13-4-1-5-14-25)31(23-29-21-12-20-26-15-10-11-22-30(26)29)36-32(27-16-6-2-7-17-27)33(40-35(36)38)28-18-8-3-9-19-28/h1-22,31-33H,23-24H2/t31-,32+,33-/m1/s1
InChIKeyCTBBKHMHNYJOJM-XKKJXBDVSA-N
MW527.62 g/mol
LogP7.43
Rot. Bonds8

About benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate

benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate (PubChem CID 10973421) has the molecular formula C35H29NO4 and a molecular weight of 527.62 g/mol. Its IUPAC name is benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Namebenzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate
PubChem CID10973421
Molecular FormulaC35H29NO4
Molecular Weight527.62 g/mol
Exact Mass527.21
IUPAC Namebenzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate
SMILESO=C(OCc1ccccc1)[C@@H](Cc1cccc2ccccc12)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C35H29NO4/c37-34(39-24-25-13-4-1-5-14-25)31(23-29-21-12-20-26-15-10-11-22-30(26)29)36-32(27-16-6-2-7-17-27)33(40-35(36)38)28-18-8-3-9-19-28/h1-22,31-33H,23-24H2/t31-,32+,33-/m1/s1
InChIKeyCTBBKHMHNYJOJM-XKKJXBDVSA-N
XLogP7.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoate
CID 10409302
benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 18658183
benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate
CID 10767319
benzyl (3S,5S,6R)-3-(dimethoxymethyl)-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11202040
naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 141427624
propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate
CID 24773275
benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 10838182
ditert-butyl 2-[[(3S,5S,6R)-2-oxo-5,6-diphenyl-4-phenylmethoxycarbonylmorpholin-3-yl]methyl]propanedioate
CID 10875824
benzyl (3S,5S,6R)-3-(4-iodobutyl)-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11365118
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 10314783
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate (CID 10973421) is benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate is O=C(OCc1ccccc1)[C@@H](Cc1cccc2ccccc12)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is CTBBKHMHNYJOJM-XKKJXBDVSA-N. The full InChI is InChI=1S/C35H29NO4/c37-34(39-24-25-13-4-1-5-14-25)31(23-29-21-12-20-26-15-10-11-22-30(26)29)36-32(27-16-6-2-7-17-27)33(40-35(36)38)28-18-8-3-9-19-28/h1-22,31-33H,23-24H2/t31-,32+,33-/m1/s1.
What are the key properties of benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate?
benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 527.62 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 10973421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).