2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

C21H23FN4O2 — CID 9436280

IUPAC2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(F)cc1CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H23FN4O2/c1-27-19-8-7-18(22)13-17(19)14-25-9-11-26(12-10-25)15-20-23-24-21(28-20)16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3
InChIKeyXHCHAHHDSPDYOD-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.20
Rot. Bonds6

About 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 9436280) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID9436280
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(F)cc1CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H23FN4O2/c1-27-19-8-7-18(22)13-17(19)14-25-9-11-26(12-10-25)15-20-23-24-21(28-20)16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3
InChIKeyXHCHAHHDSPDYOD-UHFFFAOYSA-N
XLogP3.20
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 9436280) is 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is COc1ccc(F)cc1CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is XHCHAHHDSPDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-27-19-8-7-18(22)13-17(19)14-25-9-11-26(12-10-25)15-20-23-24-21(28-20)16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 382.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 9436280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).