7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid

C18H11FN4O4 — CID 135869550

IUPAC7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid
SMILESO=C(O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C18H11FN4O4/c19-10-5-3-9(4-6-10)8-12-22-23-17(27-12)15-16(24)13-11(2-1-7-20-13)14(21-15)18(25)26/h1-7,24H,8H2,(H,25,26)
InChIKeyCLHWESXETNJWNP-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.81
Rot. Bonds4

About 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid (PubChem CID 135869550) has the molecular formula C18H11FN4O4 and a molecular weight of 366.31 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid
PubChem CID135869550
Molecular FormulaC18H11FN4O4
Molecular Weight366.31 g/mol
Exact Mass366.08
IUPAC Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid
SMILESO=C(O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C18H11FN4O4/c19-10-5-3-9(4-6-10)8-12-22-23-17(27-12)15-16(24)13-11(2-1-7-20-13)14(21-15)18(25)26/h1-7,24H,8H2,(H,25,26)
InChIKeyCLHWESXETNJWNP-UHFFFAOYSA-N
XLogP2.81
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid?
The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid (CID 135869550) is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid.
What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid is O=C(O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid?
The InChIKey is CLHWESXETNJWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O4/c19-10-5-3-9(4-6-10)8-12-22-23-17(27-12)15-16(24)13-11(2-1-7-20-13)14(21-15)18(25)26/h1-7,24H,8H2,(H,25,26).
What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid?
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid has a molecular weight of 366.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid is sourced from PubChem (CID 135869550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).