[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone

C23H28N4O2 — CID 46568147

IUPAC[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H28N4O2/c1-16(20-24-22(25-29-20)23(2,3)4)26-12-14-27(15-13-26)21(28)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,12-15H2,1-4H3
InChIKeyPCDHDRGBODTYIS-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.04
Rot. Bonds3

About [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone

[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 46568147) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID46568147
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H28N4O2/c1-16(20-24-22(25-29-20)23(2,3)4)26-12-14-27(15-13-26)21(28)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,12-15H2,1-4H3
InChIKeyPCDHDRGBODTYIS-UHFFFAOYSA-N
XLogP4.04
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone (CID 46568147) is [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone is CC(c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is PCDHDRGBODTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(20-24-22(25-29-20)23(2,3)4)26-12-14-27(15-13-26)21(28)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,12-15H2,1-4H3.
What are the key properties of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 392.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 46568147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).