2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole

C20H16FN3O4 — CID 16723058

IUPAC2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
SMILESCOCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(F)cc2OC)o1
InChIInChI=1S/C20H16FN3O4/c1-25-11-16-17(18(24-28-16)12-6-4-3-5-7-12)20-23-22-19(27-20)14-9-8-13(21)10-15(14)26-2/h3-10H,11H2,1-2H3
InChIKeyXMZJURNWIKIYRE-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole

2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole (PubChem CID 16723058) has the molecular formula C20H16FN3O4 and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
PubChem CID16723058
Molecular FormulaC20H16FN3O4
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
SMILESCOCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(F)cc2OC)o1
InChIInChI=1S/C20H16FN3O4/c1-25-11-16-17(18(24-28-16)12-6-4-3-5-7-12)20-23-22-19(27-20)14-9-8-13(21)10-15(14)26-2/h3-10H,11H2,1-2H3
InChIKeyXMZJURNWIKIYRE-UHFFFAOYSA-N
XLogP4.35
TPSA83.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole (CID 16723058) is 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole is COCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(F)cc2OC)o1.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is XMZJURNWIKIYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4/c1-25-11-16-17(18(24-28-16)12-6-4-3-5-7-12)20-23-22-19(27-20)14-9-8-13(21)10-15(14)26-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole?
2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 381.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)-5-[5-(methoxymethyl)-3-phenyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 16723058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).