5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole

C20H16FN3O3 — CID 53176345

IUPAC5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(Cc3noc(-c4ccccc4F)n3)c(C)o2)cc1
InChIInChI=1S/C20H16FN3O3/c1-12-17(22-19(26-12)13-7-9-14(25-2)10-8-13)11-18-23-20(27-24-18)15-5-3-4-6-16(15)21/h3-10H,11H2,1-2H3
InChIKeyIJGIWUUWVSGFBB-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.44
Rot. Bonds5

About 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole

5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole (PubChem CID 53176345) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole
PubChem CID53176345
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(Cc3noc(-c4ccccc4F)n3)c(C)o2)cc1
InChIInChI=1S/C20H16FN3O3/c1-12-17(22-19(26-12)13-7-9-14(25-2)10-8-13)11-18-23-20(27-24-18)15-5-3-4-6-16(15)21/h3-10H,11H2,1-2H3
InChIKeyIJGIWUUWVSGFBB-UHFFFAOYSA-N
XLogP4.44
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole 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

2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 53055889
5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
CID 53176331
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 14479955
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 42880230
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356056
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole (CID 53176345) is 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(Cc3noc(-c4ccccc4F)n3)c(C)o2)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is IJGIWUUWVSGFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-12-17(22-19(26-12)13-7-9-14(25-2)10-8-13)11-18-23-20(27-24-18)15-5-3-4-6-16(15)21/h3-10H,11H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 365.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53176345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).