5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

C14H7F3N6O — CID 155585215

IUPAC5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C14H7F3N6O/c15-14(16,17)8-1-2-10(20-4-8)11-6-22-13(24-11)23-12-7-19-9(3-18)5-21-12/h1-2,4-7H,(H,21,22,23)
InChIKeyUUWCGGRFYWCARK-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.16
Rot. Bonds3

About 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155585215) has the molecular formula C14H7F3N6O and a molecular weight of 332.25 g/mol. Its IUPAC name is 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
PubChem CID155585215
Molecular FormulaC14H7F3N6O
Molecular Weight332.25 g/mol
Exact Mass332.06
IUPAC Name5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C14H7F3N6O/c15-14(16,17)8-1-2-10(20-4-8)11-6-22-13(24-11)23-12-7-19-9(3-18)5-21-12/h1-2,4-7H,(H,21,22,23)
InChIKeyUUWCGGRFYWCARK-UHFFFAOYSA-N
XLogP3.16
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (CID 155585215) is 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1.
What is the InChIKey of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is UUWCGGRFYWCARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N6O/c15-14(16,17)8-1-2-10(20-4-8)11-6-22-13(24-11)23-12-7-19-9(3-18)5-21-12/h1-2,4-7H,(H,21,22,23).
What are the key properties of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 332.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155585215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).