5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

C15H8F3N5O2 — CID 155585439

IUPAC5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ncc(-c3ccc(OC(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C15H8F3N5O2/c16-15(17,18)25-11-3-1-9(2-4-11)12-7-22-14(24-12)23-13-8-20-10(5-19)6-21-13/h1-4,6-8H,(H,21,22,23)
InChIKeyRHNQPAKHOVAISH-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.65
Rot. Bonds4

About 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155585439) has the molecular formula C15H8F3N5O2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
PubChem CID155585439
Molecular FormulaC15H8F3N5O2
Molecular Weight347.26 g/mol
Exact Mass347.06
IUPAC Name5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ncc(-c3ccc(OC(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C15H8F3N5O2/c16-15(17,18)25-11-3-1-9(2-4-11)12-7-22-14(24-12)23-13-8-20-10(5-19)6-21-13/h1-4,6-8H,(H,21,22,23)
InChIKeyRHNQPAKHOVAISH-UHFFFAOYSA-N
XLogP3.65
TPSA96.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (CID 155585439) is 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2ncc(-c3ccc(OC(F)(F)F)cc3)o2)cn1.
What is the InChIKey of 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is RHNQPAKHOVAISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O2/c16-15(17,18)25-11-3-1-9(2-4-11)12-7-22-14(24-12)23-13-8-20-10(5-19)6-21-13/h1-4,6-8H,(H,21,22,23).
What are the key properties of 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 347.26 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155585439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).