1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one

C34H35NO4 — CID 123571826

IUPAC1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one
SMILESCCC(c1cccc(OCc2ccccc2)c1)C(C)C(=O)N1C(O)OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C34H35NO4/c1-3-30(28-20-13-21-29(22-28)38-23-25-14-7-4-8-15-25)24(2)33(36)35-31(26-16-9-5-10-17-26)32(39-34(35)37)27-18-11-6-12-19-27/h4-22,24,30-32,34,37H,3,23H2,1-2H3
InChIKeyVTJLUNYMEOGBCE-UHFFFAOYSA-N
MW521.66 g/mol
LogP7.01
Rot. Bonds9

About 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one

1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one (PubChem CID 123571826) has the molecular formula C34H35NO4 and a molecular weight of 521.66 g/mol. Its IUPAC name is 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one
PubChem CID123571826
Molecular FormulaC34H35NO4
Molecular Weight521.66 g/mol
Exact Mass521.26
IUPAC Name1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one
SMILESCCC(c1cccc(OCc2ccccc2)c1)C(C)C(=O)N1C(O)OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C34H35NO4/c1-3-30(28-20-13-21-29(22-28)38-23-25-14-7-4-8-15-25)24(2)33(36)35-31(26-16-9-5-10-17-26)32(39-34(35)37)27-18-11-6-12-19-27/h4-22,24,30-32,34,37H,3,23H2,1-2H3
InChIKeyVTJLUNYMEOGBCE-UHFFFAOYSA-N
XLogP7.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
(4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 163724142
[2-methyl-3-(3-phenylmethoxyphenyl)pentyl] methanesulfonate
CID 72670222
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(2S,3S)-2-methyl-3-(3-propoxyphenyl)pentanoic acid
CID 125467992
(2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid
CID 125468008
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199
(2S,3R)-3-(3-butoxyphenyl)-2-methylpentanoic acid
CID 125467581
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one?
The IUPAC name of 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one (CID 123571826) is 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one.
What is the SMILES notation for 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one?
The canonical SMILES for 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one is CCC(c1cccc(OCc2ccccc2)c1)C(C)C(=O)N1C(O)OC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one?
The InChIKey is VTJLUNYMEOGBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35NO4/c1-3-30(28-20-13-21-29(22-28)38-23-25-14-7-4-8-15-25)24(2)33(36)35-31(26-16-9-5-10-17-26)32(39-34(35)37)27-18-11-6-12-19-27/h4-22,24,30-32,34,37H,3,23H2,1-2H3.
What are the key properties of 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one?
1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one has a molecular weight of 521.66 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one is sourced from PubChem (CID 123571826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).