3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole

C19H17N5O — CID 166214023

IUPAC3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
SMILESCC(C)c1ccc(-c2nc(-c3cccc(-n4ccnc4)n3)no2)cc1
InChIInChI=1S/C19H17N5O/c1-13(2)14-6-8-15(9-7-14)19-22-18(23-25-19)16-4-3-5-17(21-16)24-11-10-20-12-24/h3-13H,1-2H3
InChIKeyWYLWVMMDJJQBBR-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.11
Rot. Bonds4

About 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole

3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole (PubChem CID 166214023) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
PubChem CID166214023
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
SMILESCC(C)c1ccc(-c2nc(-c3cccc(-n4ccnc4)n3)no2)cc1
InChIInChI=1S/C19H17N5O/c1-13(2)14-6-8-15(9-7-14)19-22-18(23-25-19)16-4-3-5-17(21-16)24-11-10-20-12-24/h3-13H,1-2H3
InChIKeyWYLWVMMDJJQBBR-UHFFFAOYSA-N
XLogP4.11
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole (CID 166214023) is 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole is CC(C)c1ccc(-c2nc(-c3cccc(-n4ccnc4)n3)no2)cc1.
What is the InChIKey of 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is WYLWVMMDJJQBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13(2)14-6-8-15(9-7-14)19-22-18(23-25-19)16-4-3-5-17(21-16)24-11-10-20-12-24/h3-13H,1-2H3.
What are the key properties of 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole?
3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 331.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166214023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).