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

C18H16FNO4 — CID 131868323

IUPAC[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(OC)c(-c2onc(-c3ccc(F)cc3)c2CO)c1
InChIInChI=1S/C18H16FNO4/c1-22-13-7-8-16(23-2)14(9-13)18-15(10-21)17(20-24-18)11-3-5-12(19)6-4-11/h3-9,21H,10H2,1-2H3
InChIKeyYGYRCZSVOCBANX-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.66
Rot. Bonds5

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

[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868323) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868323
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(OC)c(-c2onc(-c3ccc(F)cc3)c2CO)c1
InChIInChI=1S/C18H16FNO4/c1-22-13-7-8-16(23-2)14(9-13)18-15(10-21)17(20-24-18)11-3-5-12(19)6-4-11/h3-9,21H,10H2,1-2H3
InChIKeyYGYRCZSVOCBANX-UHFFFAOYSA-N
XLogP3.66
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868265
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868348
[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
[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868254
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131868323) is [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol is COc1ccc(OC)c(-c2onc(-c3ccc(F)cc3)c2CO)c1.
What is the InChIKey of [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is YGYRCZSVOCBANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-22-13-7-8-16(23-2)14(9-13)18-15(10-21)17(20-24-18)11-3-5-12(19)6-4-11/h3-9,21H,10H2,1-2H3.
What are the key properties of [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 329.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).