[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol

C20H21NO3 — CID 131868194

IUPAC[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(-c2noc(-c3c(C)cc(C)cc3C)c2CO)c1
InChIInChI=1S/C20H21NO3/c1-12-8-13(2)18(14(3)9-12)20-17(11-22)19(21-24-20)15-6-5-7-16(10-15)23-4/h5-10,22H,11H2,1-4H3
InChIKeyVFBVOMUAWNPWLP-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.43
Rot. Bonds4

About [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol

[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868194) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868194
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(-c2noc(-c3c(C)cc(C)cc3C)c2CO)c1
InChIInChI=1S/C20H21NO3/c1-12-8-13(2)18(14(3)9-12)20-17(11-22)19(21-24-20)15-6-5-7-16(10-15)23-4/h5-10,22H,11H2,1-4H3
InChIKeyVFBVOMUAWNPWLP-UHFFFAOYSA-N
XLogP4.43
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[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
[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868258
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
CID 131866931
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
[5-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867266
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol (CID 131868194) is [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol is COc1cccc(-c2noc(-c3c(C)cc(C)cc3C)c2CO)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is VFBVOMUAWNPWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12-8-13(2)18(14(3)9-12)20-17(11-22)19(21-24-20)15-6-5-7-16(10-15)23-4/h5-10,22H,11H2,1-4H3.
What are the key properties of [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol?
[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 323.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).