3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole

C15H13N7O — CID 137099668

IUPAC3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
SMILESCC(c1noc(-c2cn[nH]c2-c2cccnc2)n1)n1ccnc1
InChIInChI=1S/C15H13N7O/c1-10(22-6-5-17-9-22)14-19-15(23-21-14)12-8-18-20-13(12)11-3-2-4-16-7-11/h2-10H,1H3,(H,18,20)
InChIKeyWXWNIAQBGYGMFB-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.33
Rot. Bonds4

About 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole

3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 137099668) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID137099668
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
SMILESCC(c1noc(-c2cn[nH]c2-c2cccnc2)n1)n1ccnc1
InChIInChI=1S/C15H13N7O/c1-10(22-6-5-17-9-22)14-19-15(23-21-14)12-8-18-20-13(12)11-3-2-4-16-7-11/h2-10H,1H3,(H,18,20)
InChIKeyWXWNIAQBGYGMFB-UHFFFAOYSA-N
XLogP2.33
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole (CID 137099668) is 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole is CC(c1noc(-c2cn[nH]c2-c2cccnc2)n1)n1ccnc1.
What is the InChIKey of 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is WXWNIAQBGYGMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c1-10(22-6-5-17-9-22)14-19-15(23-21-14)12-8-18-20-13(12)11-3-2-4-16-7-11/h2-10H,1H3,(H,18,20).
What are the key properties of 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 307.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 137099668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).