[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol

C24H21NO3 — CID 131868258

IUPAC[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1cc(C)cc(-c2onc(-c3cccc(Oc4ccccc4)c3)c2CO)c1
InChIInChI=1S/C24H21NO3/c1-16-11-17(2)13-19(12-16)24-22(15-26)23(25-28-24)18-7-6-10-21(14-18)27-20-8-4-3-5-9-20/h3-14,26H,15H2,1-2H3
InChIKeySTIWPUIDANUVIK-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.91
Rot. Bonds5

About [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol

[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868258) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868258
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1cc(C)cc(-c2onc(-c3cccc(Oc4ccccc4)c3)c2CO)c1
InChIInChI=1S/C24H21NO3/c1-16-11-17(2)13-19(12-16)24-22(15-26)23(25-28-24)18-7-6-10-21(14-18)27-20-8-4-3-5-9-20/h3-14,26H,15H2,1-2H3
InChIKeySTIWPUIDANUVIK-UHFFFAOYSA-N
XLogP5.91
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867824
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442
[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868155
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[5-(3,5-dimethylphenyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131867820
[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
CID 131866931
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 131868258) is [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol is Cc1cc(C)cc(-c2onc(-c3cccc(Oc4ccccc4)c3)c2CO)c1.
What is the InChIKey of [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is STIWPUIDANUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-16-11-17(2)13-19(12-16)24-22(15-26)23(25-28-24)18-7-6-10-21(14-18)27-20-8-4-3-5-9-20/h3-14,26H,15H2,1-2H3.
What are the key properties of [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol?
[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 371.44 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).