benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate

C40H37NO5 — CID 58120048

IUPACbenzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate
SMILESCc1ccc(-c2cc(CC(=O)OCc3ccccc3)ccc2OCc2ccccc2)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1
InChIInChI=1S/C40H37NO5/c1-28-18-20-35(34(22-28)25-41-29(2)39(46-40(41)43)33-16-10-5-11-17-33)36-23-32(24-38(42)45-27-31-14-8-4-9-15-31)19-21-37(36)44-26-30-12-6-3-7-13-30/h3-23,29,39H,24-27H2,1-2H3/t29-,39-/m0/s1
InChIKeyATRUCNHEZJJZKF-GSVGVPEKSA-N
MW611.74 g/mol
LogP8.61
Rot. Bonds11

About benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate

benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate (PubChem CID 58120048) has the molecular formula C40H37NO5 and a molecular weight of 611.74 g/mol. Its IUPAC name is benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate
PubChem CID58120048
Molecular FormulaC40H37NO5
Molecular Weight611.74 g/mol
Exact Mass611.27
IUPAC Namebenzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate
SMILESCc1ccc(-c2cc(CC(=O)OCc3ccccc3)ccc2OCc2ccccc2)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1
InChIInChI=1S/C40H37NO5/c1-28-18-20-35(34(22-28)25-41-29(2)39(46-40(41)43)33-16-10-5-11-17-33)36-23-32(24-38(42)45-27-31-14-8-4-9-15-31)19-21-37(36)44-26-30-12-6-3-7-13-30/h3-23,29,39H,24-27H2,1-2H3/t29-,39-/m0/s1
InChIKeyATRUCNHEZJJZKF-GSVGVPEKSA-N
XLogP8.61
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate with MolForge

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Related Compounds

cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate
CID 58120035
2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 58120058
2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 58120055
ethyl 2-[4-ethoxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66892229
CID 89164293
CID 89164293
2-[3-[2-[[(4S,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenoxy]-4-phenylmethoxyphenyl]acetic acid
CID 67105404
ethyl 2-[3-[4-(2-methyl-1H-imidazol-5-yl)-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenoxy]phenyl]acetate
CID 67105478
methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66891382
(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-methoxyphenyl]-5-methylphenyl]methyl]-4-methyl-5-pyridin-4-yl-1,3-oxazolidin-2-one
CID 58355908
2-[2,4-dimethoxy-5-[2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 143857672
4-[3-[2-[[(4S,5R)-5-(3-fluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylphenyl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 58355971
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate?
The IUPAC name of benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate (CID 58120048) is benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate.
What is the SMILES notation for benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate?
The canonical SMILES for benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate is Cc1ccc(-c2cc(CC(=O)OCc3ccccc3)ccc2OCc2ccccc2)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1.
What is the InChIKey of benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate?
The InChIKey is ATRUCNHEZJJZKF-GSVGVPEKSA-N. The full InChI is InChI=1S/C40H37NO5/c1-28-18-20-35(34(22-28)25-41-29(2)39(46-40(41)43)33-16-10-5-11-17-33)36-23-32(24-38(42)45-27-31-14-8-4-9-15-31)19-21-37(36)44-26-30-12-6-3-7-13-30/h3-23,29,39H,24-27H2,1-2H3/t29-,39-/m0/s1.
What are the key properties of benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate?
benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate has a molecular weight of 611.74 g/mol, XLogP of 8.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate is sourced from PubChem (CID 58120048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).