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

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

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Related Compounds

(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
1-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine
CID 16187376
Ethyl 4-{[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinecarboxylate
CID 16188957
N-{[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-phenylethanamine
CID 25383385
US10711004, Example 275
CID 142422405
4-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane-1-carbaldehyde
CID 16192446
N-[(1-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-3-piperidinyl)methyl]acetamide
CID 45215418
4-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45233932
1-Ethyl-4-{[{[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)amino]methyl}-2-pyrrolidinone
CID 45241524
[4-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 45807534
1-[4-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 45815814
4-[[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-ethylamino]methyl]-3-fluorobenzonitrile
CID 45826351

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).