N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide

C26H32FN5O2 — CID 42647046

IUPACN,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCc1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1
InChIInChI=1S/C26H32FN5O2/c1-4-23-28-25(29-34-23)20-12-13-22(21(27)18-20)31-14-16-32(17-15-31)24(19-10-8-7-9-11-19)26(33)30(5-2)6-3/h7-13,18,24H,4-6,14-17H2,1-3H3
InChIKeyKJSOWVCTOYFDJE-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.17
Rot. Bonds8

About N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide

N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 42647046) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID42647046
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC NameN,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCc1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1
InChIInChI=1S/C26H32FN5O2/c1-4-23-28-25(29-34-23)20-12-13-22(21(27)18-20)31-14-16-32(17-15-31)24(19-10-8-7-9-11-19)26(33)30(5-2)6-3/h7-13,18,24H,4-6,14-17H2,1-3H3
InChIKeyKJSOWVCTOYFDJE-UHFFFAOYSA-N
XLogP4.17
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.17
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-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide (CID 42647046) is N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide is CCc1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1.
What is the InChIKey of N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is KJSOWVCTOYFDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-4-23-28-25(29-34-23)20-12-13-22(21(27)18-20)31-14-16-32(17-15-31)24(19-10-8-7-9-11-19)26(33)30(5-2)6-3/h7-13,18,24H,4-6,14-17H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 465.57 g/mol, XLogP of 4.17, 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-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 42647046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).