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

C19H19NO5 — CID 131868155

IUPAC[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(-c2noc(-c3ccc(OC)c(OC)c3)c2CO)c1
InChIInChI=1S/C19H19NO5/c1-22-14-6-4-5-12(9-14)18-15(11-21)19(25-20-18)13-7-8-16(23-2)17(10-13)24-3/h4-10,21H,11H2,1-3H3
InChIKeyJUBGPLJSANNCPO-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.53
Rot. Bonds6

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

[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868155) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868155
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(-c2noc(-c3ccc(OC)c(OC)c3)c2CO)c1
InChIInChI=1S/C19H19NO5/c1-22-14-6-4-5-12(9-14)18-15(11-21)19(25-20-18)13-7-8-16(23-2)17(10-13)24-3/h4-10,21H,11H2,1-3H3
InChIKeyJUBGPLJSANNCPO-UHFFFAOYSA-N
XLogP3.53
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868194
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
CID 131866931
[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868588
[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-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868258
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 131868155) is [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol is COc1cccc(-c2noc(-c3ccc(OC)c(OC)c3)c2CO)c1.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is JUBGPLJSANNCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-14-6-4-5-12(9-14)18-15(11-21)19(25-20-18)13-7-8-16(23-2)17(10-13)24-3/h4-10,21H,11H2,1-3H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 341.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).