5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole

C21H27N5O — CID 50957654

IUPAC5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2cnc(-c3ccccc3)c2C2CCCN(CC)C2)no1
InChIInChI=1S/C21H27N5O/c1-3-19-23-18(24-27-19)14-26-15-22-20(16-9-6-5-7-10-16)21(26)17-11-8-12-25(4-2)13-17/h5-7,9-10,15,17H,3-4,8,11-14H2,1-2H3
InChIKeyBKGYQMONHAIVHI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.74
Rot. Bonds6

About 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole

5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 50957654) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID50957654
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2cnc(-c3ccccc3)c2C2CCCN(CC)C2)no1
InChIInChI=1S/C21H27N5O/c1-3-19-23-18(24-27-19)14-26-15-22-20(16-9-6-5-7-10-16)21(26)17-11-8-12-25(4-2)13-17/h5-7,9-10,15,17H,3-4,8,11-14H2,1-2H3
InChIKeyBKGYQMONHAIVHI-UHFFFAOYSA-N
XLogP3.74
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 50957654) is 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole is CCc1nc(Cn2cnc(-c3ccccc3)c2C2CCCN(CC)C2)no1.
What is the InChIKey of 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BKGYQMONHAIVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-3-19-23-18(24-27-19)14-26-15-22-20(16-9-6-5-7-10-16)21(26)17-11-8-12-25(4-2)13-17/h5-7,9-10,15,17H,3-4,8,11-14H2,1-2H3.
What are the key properties of 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole?
5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 365.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[5-(1-ethylpiperidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50957654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).