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

C25H30FN5O2 — CID 58055741

IUPACN,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1
InChIInChI=1S/C25H30FN5O2/c1-4-29(5-2)25(32)23(19-9-7-6-8-10-19)31-15-13-30(14-16-31)22-12-11-20(17-21(22)26)24-27-18(3)28-33-24/h6-12,17,23H,4-5,13-16H2,1-3H3
InChIKeyFBBYXQHEXKOXOL-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.92
Rot. Bonds7

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

N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 58055741) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID58055741
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1
InChIInChI=1S/C25H30FN5O2/c1-4-29(5-2)25(32)23(19-9-7-6-8-10-19)31-15-13-30(14-16-31)22-12-11-20(17-21(22)26)24-27-18(3)28-33-24/h6-12,17,23H,4-5,13-16H2,1-3H3
InChIKeyFBBYXQHEXKOXOL-UHFFFAOYSA-N
XLogP3.92
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.92
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-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide (CID 58055741) is N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is FBBYXQHEXKOXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-4-29(5-2)25(32)23(19-9-7-6-8-10-19)31-15-13-30(14-16-31)22-12-11-20(17-21(22)26)24-27-18(3)28-33-24/h6-12,17,23H,4-5,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 451.55 g/mol, XLogP of 3.92, 7 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-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 58055741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).