2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

C27H25F2N5O2 — CID 30722328

IUPAC2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C27H25F2N5O2/c28-22-10-6-19(7-11-22)25(20-8-12-23(29)13-9-20)34-16-14-33(15-17-34)18-24(35)30-27-32-31-26(36-27)21-4-2-1-3-5-21/h1-13,25H,14-18H2,(H,30,32,35)
InChIKeyQRJYPJDEXZBLJI-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.36
Rot. Bonds7

About 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 30722328) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID30722328
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C27H25F2N5O2/c28-22-10-6-19(7-11-22)25(20-8-12-23(29)13-9-20)34-16-14-33(15-17-34)18-24(35)30-27-32-31-26(36-27)21-4-2-1-3-5-21/h1-13,25H,14-18H2,(H,30,32,35)
InChIKeyQRJYPJDEXZBLJI-UHFFFAOYSA-N
XLogP4.36
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (CID 30722328) is 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is QRJYPJDEXZBLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c28-22-10-6-19(7-11-22)25(20-8-12-23(29)13-9-20)34-16-14-33(15-17-34)18-24(35)30-27-32-31-26(36-27)21-4-2-1-3-5-21/h1-13,25H,14-18H2,(H,30,32,35).
What are the key properties of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 489.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 30722328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).