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

C20H21NO4 — CID 131867845

IUPAC[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(OC)c(-c2noc(-c3cc(C)cc(C)c3)c2CO)c1
InChIInChI=1S/C20H21NO4/c1-12-7-13(2)9-14(8-12)20-17(11-22)19(21-25-20)16-10-15(23-3)5-6-18(16)24-4/h5-10,22H,11H2,1-4H3
InChIKeyFHPPCMKWHKXKPM-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.13
Rot. Bonds5

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

[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867845) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131867845
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(OC)c(-c2noc(-c3cc(C)cc(C)c3)c2CO)c1
InChIInChI=1S/C20H21NO4/c1-12-7-13(2)9-14(8-12)20-17(11-22)19(21-25-20)16-10-15(23-3)5-6-18(16)24-4/h5-10,22H,11H2,1-4H3
InChIKeyFHPPCMKWHKXKPM-UHFFFAOYSA-N
XLogP4.13
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
[3-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868265
[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868323
[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868348
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868139
[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868155
[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868254
[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868194
[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868258
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol (CID 131867845) is [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol is COc1ccc(OC)c(-c2noc(-c3cc(C)cc(C)c3)c2CO)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is FHPPCMKWHKXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12-7-13(2)9-14(8-12)20-17(11-22)19(21-25-20)16-10-15(23-3)5-6-18(16)24-4/h5-10,22H,11H2,1-4H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol?
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 339.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).