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

C20H19N5O — CID 50966632

IUPAC2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2Cc2nnc(C)o2)nc1
InChIInChI=1S/C20H19N5O/c1-3-15-9-10-17(21-11-15)20-19(16-7-5-4-6-8-16)22-13-25(20)12-18-24-23-14(2)26-18/h4-11,13H,3,12H2,1-2H3
InChIKeySYDHONGOBCVOJZ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.91
Rot. Bonds5

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

2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 50966632) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID50966632
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2Cc2nnc(C)o2)nc1
InChIInChI=1S/C20H19N5O/c1-3-15-9-10-17(21-11-15)20-19(16-7-5-4-6-8-16)22-13-25(20)12-18-24-23-14(2)26-18/h4-11,13H,3,12H2,1-2H3
InChIKeySYDHONGOBCVOJZ-UHFFFAOYSA-N
XLogP3.91
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 50966632) is 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2nnc(C)o2)nc1.
What is the InChIKey of 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SYDHONGOBCVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-3-15-9-10-17(21-11-15)20-19(16-7-5-4-6-8-16)22-13-25(20)12-18-24-23-14(2)26-18/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 345.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 50966632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).