N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide

C25H29F2N5O2 — CID 58055782

IUPACN,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CF)n3)cc2F)CC1
InChIInChI=1S/C25H29F2N5O2/c1-3-30(4-2)25(33)23(18-8-6-5-7-9-18)32-14-12-31(13-15-32)21-11-10-19(16-20(21)27)24-28-22(17-26)34-29-24/h5-11,16,23H,3-4,12-15,17H2,1-2H3
InChIKeyMBENLYQROBDXOZ-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.08
Rot. Bonds8

About N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide

N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 58055782) has the molecular formula C25H29F2N5O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID58055782
Molecular FormulaC25H29F2N5O2
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC NameN,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CF)n3)cc2F)CC1
InChIInChI=1S/C25H29F2N5O2/c1-3-30(4-2)25(33)23(18-8-6-5-7-9-18)32-14-12-31(13-15-32)21-11-10-19(16-20(21)27)24-28-22(17-26)34-29-24/h5-11,16,23H,3-4,12-15,17H2,1-2H3
InChIKeyMBENLYQROBDXOZ-UHFFFAOYSA-N
XLogP4.08
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide (CID 58055782) is N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CF)n3)cc2F)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is MBENLYQROBDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O2/c1-3-30(4-2)25(33)23(18-8-6-5-7-9-18)32-14-12-31(13-15-32)21-11-10-19(16-20(21)27)24-28-22(17-26)34-29-24/h5-11,16,23H,3-4,12-15,17H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 469.54 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 58055782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).