2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone

C18H24N4O2 — CID 110395885

IUPAC2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1nnc(CN2CCN(C(=O)Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H24N4O2/c1-14(2)18-20-19-16(24-18)13-21-8-10-22(11-9-21)17(23)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyJFJFSEVDSYBVFM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.08
Rot. Bonds5

About 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone

2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 110395885) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID110395885
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1nnc(CN2CCN(C(=O)Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H24N4O2/c1-14(2)18-20-19-16(24-18)13-21-8-10-22(11-9-21)17(23)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyJFJFSEVDSYBVFM-UHFFFAOYSA-N
XLogP2.08
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 110395885) is 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone is CC(C)c1nnc(CN2CCN(C(=O)Cc3ccccc3)CC2)o1.
What is the InChIKey of 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is JFJFSEVDSYBVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(2)18-20-19-16(24-18)13-21-8-10-22(11-9-21)17(23)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110395885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).