N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide

C24H34F3N5O2 — CID 60512834

IUPACN,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N1CCN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1
InChIInChI=1S/C24H34F3N5O2/c1-15(2)32(16(3)4)23(33)18(6)31-12-10-30(11-13-31)17(5)22-28-21(29-34-22)19-8-7-9-20(14-19)24(25,26)27/h7-9,14-18H,10-13H2,1-6H3
InChIKeyRHNVIVCYGOKHCI-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.47
Rot. Bonds7

About N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide

N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (PubChem CID 60512834) has the molecular formula C24H34F3N5O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
PubChem CID60512834
Molecular FormulaC24H34F3N5O2
Molecular Weight481.56 g/mol
Exact Mass481.27
IUPAC NameN,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N1CCN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1
InChIInChI=1S/C24H34F3N5O2/c1-15(2)32(16(3)4)23(33)18(6)31-12-10-30(11-13-31)17(5)22-28-21(29-34-22)19-8-7-9-20(14-19)24(25,26)27/h7-9,14-18H,10-13H2,1-6H3
InChIKeyRHNVIVCYGOKHCI-UHFFFAOYSA-N
XLogP4.47
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (CID 60512834) is N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide is CC(C(=O)N(C(C)C)C(C)C)N1CCN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1.
What is the InChIKey of N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The InChIKey is RHNVIVCYGOKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N5O2/c1-15(2)32(16(3)4)23(33)18(6)31-12-10-30(11-13-31)17(5)22-28-21(29-34-22)19-8-7-9-20(14-19)24(25,26)27/h7-9,14-18H,10-13H2,1-6H3.
What are the key properties of N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide has a molecular weight of 481.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 60512834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).