1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile

C17H13FN4O2 — CID 86795350

IUPAC1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccn(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)c1C#N
InChIInChI=1S/C17H13FN4O2/c1-11-6-7-22(17(23)14(11)9-19)10-16-20-15(21-24-16)8-12-2-4-13(18)5-3-12/h2-7H,8,10H2,1H3
InChIKeySFEFAWUKMPJISM-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.19
Rot. Bonds4

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

1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 86795350) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID86795350
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccn(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)c1C#N
InChIInChI=1S/C17H13FN4O2/c1-11-6-7-22(17(23)14(11)9-19)10-16-20-15(21-24-16)8-12-2-4-13(18)5-3-12/h2-7H,8,10H2,1H3
InChIKeySFEFAWUKMPJISM-UHFFFAOYSA-N
XLogP2.19
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 86795350) is 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile is Cc1ccn(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)c1C#N.
What is the InChIKey of 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is SFEFAWUKMPJISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-11-6-7-22(17(23)14(11)9-19)10-16-20-15(21-24-16)8-12-2-4-13(18)5-3-12/h2-7H,8,10H2,1H3.
What are the key properties of 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 324.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 86795350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).