[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone

C21H27N7O2 — CID 53178882

IUPAC[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1
InChIInChI=1S/C21H27N7O2/c1-5-26-8-10-27(11-9-26)19(29)16-13-28(14-23-16)17-7-6-15(12-22-17)18-24-20(25-30-18)21(2,3)4/h6-7,12-14H,5,8-11H2,1-4H3
InChIKeyLAFIYNHLYVTHIH-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.39
Rot. Bonds4

About [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone

[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 53178882) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID53178882
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1
InChIInChI=1S/C21H27N7O2/c1-5-26-8-10-27(11-9-26)19(29)16-13-28(14-23-16)17-7-6-15(12-22-17)18-24-20(25-30-18)21(2,3)4/h6-7,12-14H,5,8-11H2,1-4H3
InChIKeyLAFIYNHLYVTHIH-UHFFFAOYSA-N
XLogP2.39
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 53178882) is [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1.
What is the InChIKey of [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is LAFIYNHLYVTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-5-26-8-10-27(11-9-26)19(29)16-13-28(14-23-16)17-7-6-15(12-22-17)18-24-20(25-30-18)21(2,3)4/h6-7,12-14H,5,8-11H2,1-4H3.
What are the key properties of [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 409.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 53178882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).