4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

C29H28N2O5 — CID 67330497

IUPAC4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CC(c1ccc(OCc2ccccc2)cc1)C1C=CON1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C29H28N2O5/c32-28(31-24(20-35-29(31)33)17-21-7-3-1-4-8-21)18-26(27-15-16-36-30-27)23-11-13-25(14-12-23)34-19-22-9-5-2-6-10-22/h1-16,24,26-27,30H,17-20H2
InChIKeyFABCORXFCNKRNT-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.75
Rot. Bonds9

About 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 67330497) has the molecular formula C29H28N2O5 and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID67330497
Molecular FormulaC29H28N2O5
Molecular Weight484.55 g/mol
Exact Mass484.20
IUPAC Name4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CC(c1ccc(OCc2ccccc2)cc1)C1C=CON1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C29H28N2O5/c32-28(31-24(20-35-29(31)33)17-21-7-3-1-4-8-21)18-26(27-15-16-36-30-27)23-11-13-25(14-12-23)34-19-22-9-5-2-6-10-22/h1-16,24,26-27,30H,17-20H2
InChIKeyFABCORXFCNKRNT-UHFFFAOYSA-N
XLogP4.75
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 67330947
(4S)-4-benzyl-3-[2-(3-phenyl-5-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;ethane
CID 91171300
(4S)-4-benzyl-3-[(4S)-5-[(4-phenylmethoxyphenyl)methyl]-2-sulfanylidene-1,3-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 5387494
(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 100948287
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-4-benzyl-3-[(3R)-3-diphenylphosphanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 11477431
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
(4S)-4-benzyl-3-[(3S)-3-(1,2-oxazol-3-yl)-3-[4-[[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methoxy]phenyl]propanoyl]-1,3-oxazolidin-2-one
CID 59300647
(4S)-3-[(3S)-3-(4-fluoroanilino)-3-(4-phenylmethoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 139492193
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (CID 67330497) is 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(CC(c1ccc(OCc2ccccc2)cc1)C1C=CON1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FABCORXFCNKRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5/c32-28(31-24(20-35-29(31)33)17-21-7-3-1-4-8-21)18-26(27-15-16-36-30-27)23-11-13-25(14-12-23)34-19-22-9-5-2-6-10-22/h1-16,24,26-27,30H,17-20H2.
What are the key properties of 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 484.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67330497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).