1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one

C15H12FN3O3 — CID 72914664

IUPAC1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one
SMILESCOc1cccn(Cc2nnc(-c3cccc(F)c3)o2)c1=O
InChIInChI=1S/C15H12FN3O3/c1-21-12-6-3-7-19(15(12)20)9-13-17-18-14(22-13)10-4-2-5-11(16)8-10/h2-8H,9H2,1H3
InChIKeyKZOHMLSPWUBUCA-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.09
Rot. Bonds4

About 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one

1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one (PubChem CID 72914664) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one
PubChem CID72914664
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one
SMILESCOc1cccn(Cc2nnc(-c3cccc(F)c3)o2)c1=O
InChIInChI=1S/C15H12FN3O3/c1-21-12-6-3-7-19(15(12)20)9-13-17-18-14(22-13)10-4-2-5-11(16)8-10/h2-8H,9H2,1H3
InChIKeyKZOHMLSPWUBUCA-UHFFFAOYSA-N
XLogP2.09
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one?
The IUPAC name of 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one (CID 72914664) is 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one.
What is the SMILES notation for 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one?
The canonical SMILES for 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one is COc1cccn(Cc2nnc(-c3cccc(F)c3)o2)c1=O.
What is the InChIKey of 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one?
The InChIKey is KZOHMLSPWUBUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-21-12-6-3-7-19(15(12)20)9-13-17-18-14(22-13)10-4-2-5-11(16)8-10/h2-8H,9H2,1H3.
What are the key properties of 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one?
1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one has a molecular weight of 301.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypyridin-2-one is sourced from PubChem (CID 72914664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).