5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C20H17N5O2 — CID 86266140

IUPAC5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ccnc1-c1ccccn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H17N5O2/c26-20(17-14-18(27-24-17)15-6-2-1-3-7-15)23-11-13-25-12-10-22-19(25)16-8-4-5-9-21-16/h1-10,12,14H,11,13H2,(H,23,26)
InChIKeyKQGIJISAFLGOOJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.03
Rot. Bonds6

About 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 86266140) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID86266140
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ccnc1-c1ccccn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H17N5O2/c26-20(17-14-18(27-24-17)15-6-2-1-3-7-15)23-11-13-25-12-10-22-19(25)16-8-4-5-9-21-16/h1-10,12,14H,11,13H2,(H,23,26)
InChIKeyKQGIJISAFLGOOJ-UHFFFAOYSA-N
XLogP3.03
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 86266140) is 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCn1ccnc1-c1ccccn1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KQGIJISAFLGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-20(17-14-18(27-24-17)15-6-2-1-3-7-15)23-11-13-25-12-10-22-19(25)16-8-4-5-9-21-16/h1-10,12,14H,11,13H2,(H,23,26).
What are the key properties of 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86266140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).