3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole

C17H22FN5O — CID 126893053

IUPAC3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H22FN5O/c1-13-17(20-24-19-13)12-21-10-16(11-21)23-8-6-22(7-9-23)15-4-2-14(18)3-5-15/h2-5,16H,6-12H2,1H3
InChIKeyMIIVEEJMWWRGAK-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.52
Rot. Bonds4

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

3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 126893053) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID126893053
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC Name3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H22FN5O/c1-13-17(20-24-19-13)12-21-10-16(11-21)23-8-6-22(7-9-23)15-4-2-14(18)3-5-15/h2-5,16H,6-12H2,1H3
InChIKeyMIIVEEJMWWRGAK-UHFFFAOYSA-N
XLogP1.52
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 126892942
2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126893085
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126893073
1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
CID 126893111
5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 126893083
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126893048
4-[2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]ethyl]-1,4-oxazepane
CID 126893121
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
CID 126892916
1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
CID 45167770
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 126892897
3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 126893230
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126901439

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (CID 126893053) is 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is Cc1nonc1CN1CC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is MIIVEEJMWWRGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-13-17(20-24-19-13)12-21-10-16(11-21)23-8-6-22(7-9-23)15-4-2-14(18)3-5-15/h2-5,16H,6-12H2,1H3.
What are the key properties of 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 331.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 126893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).