4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one

C23H25NO2 — CID 100943366

IUPAC4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)C/C(=C\CC1(C)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C23H25NO2/c1-17(2)16-20(18-10-6-4-7-11-18)14-15-23(3)22(25)26-21(24-23)19-12-8-5-9-13-19/h4-14,17H,15-16H2,1-3H3/b20-14+
InChIKeyIOWFALBXCYUELG-XSFVSMFZSA-N
MW347.46 g/mol
LogP5.27
Rot. Bonds6

About 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one

4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one (PubChem CID 100943366) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
PubChem CID100943366
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)C/C(=C\CC1(C)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C23H25NO2/c1-17(2)16-20(18-10-6-4-7-11-18)14-15-23(3)22(25)26-21(24-23)19-12-8-5-9-13-19/h4-14,17H,15-16H2,1-3H3/b20-14+
InChIKeyIOWFALBXCYUELG-XSFVSMFZSA-N
XLogP5.27
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one with MolForge

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Related Compounds

(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
CID 100997269
(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101412232
3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 13177925
2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
CID 102179165
4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
CID 54562596
(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one
CID 165350179
4-chloro-2-phenyl-4-propanoyl-1,3-oxazol-5-one
CID 13223327
(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one
CID 134955603
3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)benzoic acid
CID 12887256
O-[(4S)-4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl] ethanethioate
CID 45123250
(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one
CID 135006221

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one (CID 100943366) is 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one is CC(C)C/C(=C\CC1(C)N=C(c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is IOWFALBXCYUELG-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H25NO2/c1-17(2)16-20(18-10-6-4-7-11-18)14-15-23(3)22(25)26-21(24-23)19-12-8-5-9-13-19/h4-14,17H,15-16H2,1-3H3/b20-14+.
What are the key properties of 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one?
4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 347.46 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 100943366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).