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

C29H26N2O5 — CID 67330947

IUPAC4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CC(c1ccc(OCc2ccccc2)cc1)c1ccon1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C29H26N2O5/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/h1-16,24,26H,17-20H2
InChIKeyCRJATQMQKNURTH-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.37
Rot. Bonds9

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

4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 67330947) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID67330947
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CC(c1ccc(OCc2ccccc2)cc1)c1ccon1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C29H26N2O5/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/h1-16,24,26H,17-20H2
InChIKeyCRJATQMQKNURTH-UHFFFAOYSA-N
XLogP5.37
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-benzyl-3-[(3S)-3-(1,2-oxazol-3-yl)-3-[4-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoyl]-1,3-oxazolidin-2-one
CID 59252192
(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)-4-benzyl-3-[(3S)-3-[4-[[5-(4-butylphenyl)thiophen-2-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;(3S)-3-[4-[[5-(4-butylphenyl)thiophen-2-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
CID 158333980
(4S)-4-benzyl-3-[(3S)-3-[4-[[5-(4-butylphenyl)thiophen-2-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;(3S)-3-[4-[[5-(4-butylphenyl)thiophen-2-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid;methane
CID 158229075
(4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(3-hydroxypropyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;(3S)-3-[4-[[2-[4-(3-hydroxypropyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
CID 158530181
(4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine
CID 160583609
4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 67330497
benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
CID 10764752
(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
(4S)-4-benzyl-3-[2-(3-phenyl-5-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;ethane
CID 91171300

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (CID 67330947) is 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(CC(c1ccc(OCc2ccccc2)cc1)c1ccon1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is CRJATQMQKNURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/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/h1-16,24,26H,17-20H2.
What are the key properties of 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 482.54 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67330947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).