5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C18H19FN4O2 — CID 166288475

IUPAC5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(Cc3coc(-c4ccc(F)cc4)n3)n2)CCNCC1
InChIInChI=1S/C18H19FN4O2/c1-18(6-8-20-9-7-18)17-22-15(25-23-17)10-14-11-24-16(21-14)12-2-4-13(19)5-3-12/h2-5,11,20H,6-10H2,1H3
InChIKeyBGRFZKJEGOIZPS-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.10
Rot. Bonds4

About 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 166288475) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID166288475
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(Cc3coc(-c4ccc(F)cc4)n3)n2)CCNCC1
InChIInChI=1S/C18H19FN4O2/c1-18(6-8-20-9-7-18)17-22-15(25-23-17)10-14-11-24-16(21-14)12-2-4-13(19)5-3-12/h2-5,11,20H,6-10H2,1H3
InChIKeyBGRFZKJEGOIZPS-UHFFFAOYSA-N
XLogP3.10
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
CID 166288471
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 115873830
5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 146050584
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride
CID 119933371
4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 61373650
5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 172908876
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31688665
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739984
2-(4-fluorophenyl)-4-(2-methylsulfonylethylsulfonylmethyl)-1,3-oxazole
CID 47563050
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915159

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 166288475) is 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1(c2noc(Cc3coc(-c4ccc(F)cc4)n3)n2)CCNCC1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is BGRFZKJEGOIZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-18(6-8-20-9-7-18)17-22-15(25-23-17)10-14-11-24-16(21-14)12-2-4-13(19)5-3-12/h2-5,11,20H,6-10H2,1H3.
What are the key properties of 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 342.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166288475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).