(4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one

C28H29NO4 — CID 163724142

IUPAC(4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one
SMILESCCC(CC(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C28H29NO4/c1-3-22(24-15-10-16-25(17-24)32-19-21-11-6-4-7-12-21)18-26(30)29-27(20(2)33-28(29)31)23-13-8-5-9-14-23/h4-17,20,22,27H,3,18-19H2,1-2H3/t20-,22?,27-/m0/s1
InChIKeyKUDNCJZDNUDOQO-BRTNGCMZSA-N
MW443.54 g/mol
LogP6.26
Rot. Bonds8

About (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one

(4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one (PubChem CID 163724142) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one
PubChem CID163724142
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name(4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one
SMILESCCC(CC(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C28H29NO4/c1-3-22(24-15-10-16-25(17-24)32-19-21-11-6-4-7-12-21)18-26(30)29-27(20(2)33-28(29)31)23-13-8-5-9-14-23/h4-17,20,22,27H,3,18-19H2,1-2H3/t20-,22?,27-/m0/s1
InChIKeyKUDNCJZDNUDOQO-BRTNGCMZSA-N
XLogP6.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
1-(2-hydroxy-4,5-diphenyl-1,3-oxazolidin-3-yl)-2-methyl-3-(3-phenylmethoxyphenyl)pentan-1-one
CID 123571826
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970
1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
CID 4664073
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
(1S)-1-cyclopropyl-1-(3-phenylmethoxyphenyl)pentan-3-one
CID 147124935
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
3-hydroxy-3-(3-phenylmethoxyphenyl)propanamide
CID 68644594
benzyl (4R,5S)-3-[(3S)-3-amino-3-phenylpropanoyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 16723233
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one (CID 163724142) is (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one is CCC(CC(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KUDNCJZDNUDOQO-BRTNGCMZSA-N. The full InChI is InChI=1S/C28H29NO4/c1-3-22(24-15-10-16-25(17-24)32-19-21-11-6-4-7-12-21)18-26(30)29-27(20(2)33-28(29)31)23-13-8-5-9-14-23/h4-17,20,22,27H,3,18-19H2,1-2H3/t20-,22?,27-/m0/s1.
What are the key properties of (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one?
(4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 443.54 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-4-phenyl-3-[(3R)-3-(3-phenylmethoxyphenyl)pentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 163724142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).