5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one

C21H21NO3 — CID 162652378

IUPAC5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one
SMILESO=C(CCCCCc1ccccc1)n1cc(-c2ccccc2)oc1=O
InChIInChI=1S/C21H21NO3/c23-20(15-9-2-6-12-17-10-4-1-5-11-17)22-16-19(25-21(22)24)18-13-7-3-8-14-18/h1,3-5,7-8,10-11,13-14,16H,2,6,9,12,15H2
InChIKeyJSOYLBSQROMLLW-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.55
Rot. Bonds7

About 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one

5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one (PubChem CID 162652378) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one
PubChem CID162652378
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one
SMILESO=C(CCCCCc1ccccc1)n1cc(-c2ccccc2)oc1=O
InChIInChI=1S/C21H21NO3/c23-20(15-9-2-6-12-17-10-4-1-5-11-17)22-16-19(25-21(22)24)18-13-7-3-8-14-18/h1,3-5,7-8,10-11,13-14,16H,2,6,9,12,15H2
InChIKeyJSOYLBSQROMLLW-UHFFFAOYSA-N
XLogP4.55
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-Benzyloxy-cyclohexa-1,3-dienyl)-N-methyl-N-phenethyl-acetamide
CID 44356239
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CID 59803011
N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162659926
4-Phenylbutyl 2-oxo-5-phenyl-1,3-oxazole-3-carboxylate
CID 162672542
Benzyl 3-benzyl-4-oxopiperidine-1-carboxylate
CID 44366601
(4S,5R)-3-(2-Phenyl)acetyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11066354
(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11077752
(4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 11232542
(4R,5S)-4-methyl-5-phenyl-3-phenylacetyl-oxazolidin-2-one
CID 11748453
(4R,5S)-4-methyl-5-phenyl-3-(3-phenyl-propionyl)oxazolidine-2-one
CID 13461718
3-Benzyl-5-phenyl-1,3-oxazol-2-one
CID 18970447
Benzyl 2-oxoazocane-1-carboxylate
CID 101169611

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one?
The IUPAC name of 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one (CID 162652378) is 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one?
The canonical SMILES for 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one is O=C(CCCCCc1ccccc1)n1cc(-c2ccccc2)oc1=O.
What is the InChIKey of 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one?
The InChIKey is JSOYLBSQROMLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(15-9-2-6-12-17-10-4-1-5-11-17)22-16-19(25-21(22)24)18-13-7-3-8-14-18/h1,3-5,7-8,10-11,13-14,16H,2,6,9,12,15H2.
What are the key properties of 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one?
5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one has a molecular weight of 335.40 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(6-phenylhexanoyl)-1,3-oxazol-2-one is sourced from PubChem (CID 162652378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).