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

C17H17N7O — CID 50975404

IUPAC2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCn1ncnc1-c1c(-c2ccccc2)ncn1Cc1nnc(C)o1
InChIInChI=1S/C17H17N7O/c1-3-24-17(18-10-20-24)16-15(13-7-5-4-6-8-13)19-11-23(16)9-14-22-21-12(2)25-14/h4-8,10-11H,3,9H2,1-2H3
InChIKeyGEBWCZWIUOGLNC-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.57
Rot. Bonds5

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

2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 50975404) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID50975404
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCn1ncnc1-c1c(-c2ccccc2)ncn1Cc1nnc(C)o1
InChIInChI=1S/C17H17N7O/c1-3-24-17(18-10-20-24)16-15(13-7-5-4-6-8-13)19-11-23(16)9-14-22-21-12(2)25-14/h4-8,10-11H,3,9H2,1-2H3
InChIKeyGEBWCZWIUOGLNC-UHFFFAOYSA-N
XLogP2.57
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 50975404) is 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is CCn1ncnc1-c1c(-c2ccccc2)ncn1Cc1nnc(C)o1.
What is the InChIKey of 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is GEBWCZWIUOGLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-3-24-17(18-10-20-24)16-15(13-7-5-4-6-8-13)19-11-23(16)9-14-22-21-12(2)25-14/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 335.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 50975404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).