5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile

C18H16N6O2 — CID 175957245

IUPAC5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ccccc3OCC3CNC3)on2)cn1
InChIInChI=1S/C18H16N6O2/c19-6-13-9-22-18(10-21-13)23-17-5-16(26-24-17)14-3-1-2-4-15(14)25-11-12-7-20-8-12/h1-5,9-10,12,20H,7-8,11H2,(H,22,23,24)
InChIKeyIAWSLBMPGROFPH-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.35
Rot. Bonds6

About 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 175957245) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID175957245
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ccccc3OCC3CNC3)on2)cn1
InChIInChI=1S/C18H16N6O2/c19-6-13-9-22-18(10-21-13)23-17-5-16(26-24-17)14-3-1-2-4-15(14)25-11-12-7-20-8-12/h1-5,9-10,12,20H,7-8,11H2,(H,22,23,24)
InChIKeyIAWSLBMPGROFPH-UHFFFAOYSA-N
XLogP2.35
TPSA108.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile (CID 175957245) is 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3ccccc3OCC3CNC3)on2)cn1.
What is the InChIKey of 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is IAWSLBMPGROFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-6-13-9-22-18(10-21-13)23-17-5-16(26-24-17)14-3-1-2-4-15(14)25-11-12-7-20-8-12/h1-5,9-10,12,20H,7-8,11H2,(H,22,23,24).
What are the key properties of 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 348.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 175957245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).