5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile

C20H18N6O2 — CID 175957263

IUPAC5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ccccc3OC3CC4(CNC4)C3)on2)cn1
InChIInChI=1S/C20H18N6O2/c21-8-13-9-24-19(10-23-13)25-18-5-17(28-26-18)15-3-1-2-4-16(15)27-14-6-20(7-14)11-22-12-20/h1-5,9-10,14,22H,6-7,11-12H2,(H,24,25,26)
InChIKeyNJBSODVDDFULAZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.88
Rot. Bonds5

About 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 175957263) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID175957263
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ccccc3OC3CC4(CNC4)C3)on2)cn1
InChIInChI=1S/C20H18N6O2/c21-8-13-9-24-19(10-23-13)25-18-5-17(28-26-18)15-3-1-2-4-16(15)27-14-6-20(7-14)11-22-12-20/h1-5,9-10,14,22H,6-7,11-12H2,(H,24,25,26)
InChIKeyNJBSODVDDFULAZ-UHFFFAOYSA-N
XLogP2.88
TPSA108.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile (CID 175957263) is 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3ccccc3OC3CC4(CNC4)C3)on2)cn1.
What is the InChIKey of 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is NJBSODVDDFULAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-8-13-9-24-19(10-23-13)25-18-5-17(28-26-18)15-3-1-2-4-16(15)27-14-6-20(7-14)11-22-12-20/h1-5,9-10,14,22H,6-7,11-12H2,(H,24,25,26).
What are the key properties of 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 175957263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).