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

C22H25FN4O2 — CID 9116582

IUPAC2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F
InChIInChI=1S/C22H25FN4O2/c1-16(21-24-25-22(29-21)18-6-4-3-5-7-18)27-12-10-26(11-13-27)15-17-8-9-20(28-2)19(23)14-17/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1
InChIKeyFKATVASXGGPASQ-MRXNPFEDSA-N
MW396.47 g/mol
LogP3.76
Rot. Bonds6

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

2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 9116582) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID9116582
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F
InChIInChI=1S/C22H25FN4O2/c1-16(21-24-25-22(29-21)18-6-4-3-5-7-18)27-12-10-26(11-13-27)15-17-8-9-20(28-2)19(23)14-17/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1
InChIKeyFKATVASXGGPASQ-MRXNPFEDSA-N
XLogP3.76
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 9116582) is 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is COc1ccc(CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F.
What is the InChIKey of 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FKATVASXGGPASQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-16(21-24-25-22(29-21)18-6-4-3-5-7-18)27-12-10-26(11-13-27)15-17-8-9-20(28-2)19(23)14-17/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 396.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 9116582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).