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

C18H25FN4O — CID 56787377

IUPAC2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCN(C(C)c3ccccc3F)CC2)o1
InChIInChI=1S/C18H25FN4O/c1-13(2)18-21-20-17(24-18)12-22-8-10-23(11-9-22)14(3)15-6-4-5-7-16(15)19/h4-7,13-14H,8-12H2,1-3H3
InChIKeyPIIDYMDAHYHUTC-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.21
Rot. Bonds5

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

2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 56787377) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID56787377
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCN(C(C)c3ccccc3F)CC2)o1
InChIInChI=1S/C18H25FN4O/c1-13(2)18-21-20-17(24-18)12-22-8-10-23(11-9-22)14(3)15-6-4-5-7-16(15)19/h4-7,13-14H,8-12H2,1-3H3
InChIKeyPIIDYMDAHYHUTC-UHFFFAOYSA-N
XLogP3.21
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 56787377) is 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCN(C(C)c3ccccc3F)CC2)o1.
What is the InChIKey of 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is PIIDYMDAHYHUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-13(2)18-21-20-17(24-18)12-22-8-10-23(11-9-22)14(3)15-6-4-5-7-16(15)19/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 332.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 56787377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).