N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

C17H10F2N4O2 — CID 162444778

IUPACN-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(-c2ccccn2)on1
InChIInChI=1S/C17H10F2N4O2/c18-10-5-9-13(6-11(10)19)21-8-15(9)22-17(24)14-7-16(25-23-14)12-3-1-2-4-20-12/h1-8,21H,(H,22,24)
InChIKeyAKJVTXJOTVJQIS-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.75
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 162444778) has the molecular formula C17H10F2N4O2 and a molecular weight of 340.29 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID162444778
Molecular FormulaC17H10F2N4O2
Molecular Weight340.29 g/mol
Exact Mass340.08
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(-c2ccccn2)on1
InChIInChI=1S/C17H10F2N4O2/c18-10-5-9-13(6-11(10)19)21-8-15(9)22-17(24)14-7-16(25-23-14)12-3-1-2-4-20-12/h1-8,21H,(H,22,24)
InChIKeyAKJVTXJOTVJQIS-UHFFFAOYSA-N
XLogP3.75
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 162444778) is N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(-c2ccccn2)on1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is AKJVTXJOTVJQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O2/c18-10-5-9-13(6-11(10)19)21-8-15(9)22-17(24)14-7-16(25-23-14)12-3-1-2-4-20-12/h1-8,21H,(H,22,24).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 340.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162444778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).