ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate

C18H16FN3O3 — CID 710045

IUPACethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2nnc(-c3ccccc3F)o2)c(C)nc1C
InChIInChI=1S/C18H16FN3O3/c1-4-24-18(23)14-9-13(10(2)20-11(14)3)17-22-21-16(25-17)12-7-5-6-8-15(12)19/h5-9H,4H2,1-3H3
InChIKeyTVQGKWGPRADDOJ-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.73
Rot. Bonds4

About ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate

ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate (PubChem CID 710045) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate
PubChem CID710045
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Nameethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2nnc(-c3ccccc3F)o2)c(C)nc1C
InChIInChI=1S/C18H16FN3O3/c1-4-24-18(23)14-9-13(10(2)20-11(14)3)17-22-21-16(25-17)12-7-5-6-8-15(12)19/h5-9H,4H2,1-3H3
InChIKeyTVQGKWGPRADDOJ-UHFFFAOYSA-N
XLogP3.73
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate (CID 710045) is ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(-c2nnc(-c3ccccc3F)o2)c(C)nc1C.
What is the InChIKey of ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is TVQGKWGPRADDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-4-24-18(23)14-9-13(10(2)20-11(14)3)17-22-21-16(25-17)12-7-5-6-8-15(12)19/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 710045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).