5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole

C18H16FNO4 — CID 162659969

IUPAC5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(OC)c(-c2cc(-c3cccc(F)c3)on2)c(OC)c1
InChIInChI=1S/C18H16FNO4/c1-21-13-8-16(22-2)18(17(9-13)23-3)14-10-15(24-20-14)11-5-4-6-12(19)7-11/h4-10H,1-3H3
InChIKeyAATOBUMFINWQIF-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.17
Rot. Bonds5

About 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole

5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole (PubChem CID 162659969) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole
PubChem CID162659969
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(OC)c(-c2cc(-c3cccc(F)c3)on2)c(OC)c1
InChIInChI=1S/C18H16FNO4/c1-21-13-8-16(22-2)18(17(9-13)23-3)14-10-15(24-20-14)11-5-4-6-12(19)7-11/h4-10H,1-3H3
InChIKeyAATOBUMFINWQIF-UHFFFAOYSA-N
XLogP4.17
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611
3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole
CID 118371898
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 142469500
5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199764
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile
CID 116858951
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole
CID 130466734

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole (CID 162659969) is 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole is COc1cc(OC)c(-c2cc(-c3cccc(F)c3)on2)c(OC)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is AATOBUMFINWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-21-13-8-16(22-2)18(17(9-13)23-3)14-10-15(24-20-14)11-5-4-6-12(19)7-11/h4-10H,1-3H3.
What are the key properties of 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole?
5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 329.33 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 162659969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).