5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole

C17H12N4O2 — CID 58240182

IUPAC5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole
SMILESc1cc(Cc2cccc(-c3cnco3)n2)nc(-c2cnco2)c1
InChIInChI=1S/C17H12N4O2/c1-3-12(20-14(5-1)16-8-18-10-22-16)7-13-4-2-6-15(21-13)17-9-19-11-23-17/h1-6,8-11H,7H2
InChIKeyGXJWURUOFGHZRP-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.38
Rot. Bonds4

About 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole

5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole (PubChem CID 58240182) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole
PubChem CID58240182
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole
SMILESc1cc(Cc2cccc(-c3cnco3)n2)nc(-c2cnco2)c1
InChIInChI=1S/C17H12N4O2/c1-3-12(20-14(5-1)16-8-18-10-22-16)7-13-4-2-6-15(21-13)17-9-19-11-23-17/h1-6,8-11H,7H2
InChIKeyGXJWURUOFGHZRP-UHFFFAOYSA-N
XLogP3.38
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole (CID 58240182) is 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole is c1cc(Cc2cccc(-c3cnco3)n2)nc(-c2cnco2)c1.
What is the InChIKey of 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole?
The InChIKey is GXJWURUOFGHZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-3-12(20-14(5-1)16-8-18-10-22-16)7-13-4-2-6-15(21-13)17-9-19-11-23-17/h1-6,8-11H,7H2.
What are the key properties of 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole?
5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole has a molecular weight of 304.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methyl]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 58240182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).