2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol

C20H21NO5 — CID 18515724

IUPAC2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol
SMILESCOc1cc(-c2nc(CCO)co2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H21NO5/c1-23-17-10-15(20-21-16(8-9-22)13-26-20)11-18(24-2)19(17)25-12-14-6-4-3-5-7-14/h3-7,10-11,13,22H,8-9,12H2,1-2H3
InChIKeyRPXRUIYCBBLTMD-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.47
Rot. Bonds8

About 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol

2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol (PubChem CID 18515724) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol
PubChem CID18515724
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol
SMILESCOc1cc(-c2nc(CCO)co2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H21NO5/c1-23-17-10-15(20-21-16(8-9-22)13-26-20)11-18(24-2)19(17)25-12-14-6-4-3-5-7-14/h3-7,10-11,13,22H,8-9,12H2,1-2H3
InChIKeyRPXRUIYCBBLTMD-UHFFFAOYSA-N
XLogP3.47
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
CID 54398589
[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine
CID 68981656
3-(2-methoxyphenyl)-2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-oxopropanoic acid
CID 150066190
2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione
CID 68983901
4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56665003
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110537997
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111553406
4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56669146
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol (CID 18515724) is 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol is COc1cc(-c2nc(CCO)co2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is RPXRUIYCBBLTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-23-17-10-15(20-21-16(8-9-22)13-26-20)11-18(24-2)19(17)25-12-14-6-4-3-5-7-14/h3-7,10-11,13,22H,8-9,12H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol?
2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 355.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 18515724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).